1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane

C125H251N13 — CID 157217147

About 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane

1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane (PubChem CID 157217147) has the molecular formula C125H251N13 and a molecular weight of 1936.47 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane
• PubChem CID: 157217147
• Molecular Formula: C125H251N13
• Molecular Weight: 1936.47 g/mol
• Exact Mass: 1935.00
• IUPAC Name: 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane
• SMILES: CC.CC.CC(C)(C)CCN1CC(C2CCCCC2)C1.CC(C)(C)CCN1CC(CCN2CCCCC2)C1.CC(C)(C)CCN1CC(CN2CCCCC2)C1.CC(C)(C)CC[C@@H]1CCN(CC2CCCCC2)C1.CC(C)(C)CC[C@H]1CCN(CC2CCCCC2)C1.CC(C)(C)N1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1
• InChI: InChI=1S/2C17H33N.C16H32N2.2C15H30N2.C15H29N.2C13H26N2.2C2H6/c2*1-17(2,3)11-9-16-10-12-18(14-16)13-15-7-5-4-6-8-15;1-16(2,3)8-12-18-13-15(14-18)7-11-17-9-5-4-6-10-17;1-15(2,3)7-10-17-12-14(13-17)11-16-8-5-4-6-9-16;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-15(2,3)9-10-16-11-14(12-16)13-7-5-4-6-8-13;2*1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;2*1-2/h2*15-16H,4-14H2,1-3H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;2*13H,2-12H2,1H3;2*1-2H3/t2*16-;;;;;;;;/m10......../s1
• InChIKey: ASNZJJFQABTBFD-JWFVTDLVSA-N
• XLogP: 28.88
• TPSA: 42.12 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.47
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane?

The IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane (CID 157217147) is 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane.

What is the SMILES notation for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane?

The canonical SMILES for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane is CC.CC.CC(C)(C)CCN1CC(C2CCCCC2)C1.CC(C)(C)CCN1CC(CCN2CCCCC2)C1.CC(C)(C)CCN1CC(CN2CCCCC2)C1.CC(C)(C)CC[C@@H]1CCN(CC2CCCCC2)C1.CC(C)(C)CC[C@H]1CCN(CC2CCCCC2)C1.CC(C)(C)N1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.CCN1CCN(CC2CCCCC2)CC1.

What is the InChIKey of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane?

The InChIKey is ASNZJJFQABTBFD-JWFVTDLVSA-N. The full InChI is InChI=1S/2C17H33N.C16H32N2.2C15H30N2.C15H29N.2C13H26N2.2C2H6/c2*1-17(2,3)11-9-16-10-12-18(14-16)13-15-7-5-4-6-8-15;1-16(2,3)8-12-18-13-15(14-18)7-11-17-9-5-4-6-10-17;1-15(2,3)7-10-17-12-14(13-17)11-16-8-5-4-6-9-16;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-15(2,3)9-10-16-11-14(12-16)13-7-5-4-6-8-13;2*1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;2*1-2/h2*15-16H,4-14H2,1-3H3;15H,4-14H2,1-3H3;2*14H,4-13H2,1-3H3;13-14H,4-12H2,1-3H3;2*13H,2-12H2,1H3;2*1-2H3/t2*16-;;;;;;;;/m10......../s1.

What are the key properties of 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane?

1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane has a molecular weight of 1936.47 g/mol, XLogP of 28.88, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(cyclohexylmethyl)piperazine;3-cyclohexyl-1-(3,3-dimethylbutyl)azetidine;(3R)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;(3S)-1-(cyclohexylmethyl)-3-(3,3-dimethylbutyl)pyrrolidine;bis(1-(cyclohexylmethyl)-4-ethylpiperazine);1-[2-[1-(3,3-dimethylbutyl)azetidin-3-yl]ethyl]piperidine;1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperidine;ethane is sourced from PubChem (CID 157217147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).