4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine

C23H44N2 — CID 177072799

IUPAC4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
SMILESCC(C)(C)CN1CC(N2CCC(C3CCC(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C23H44N2/c1-22(2,3)17-24-15-21(16-24)25-13-11-19(12-14-25)18-7-9-20(10-8-18)23(4,5)6/h18-21H,7-17H2,1-6H3
InChIKeyRPDRYHLCWPNBTN-UHFFFAOYSA-N
MW348.62 g/mol
LogP5.28
Rot. Bonds3

About 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine

4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine (PubChem CID 177072799) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
PubChem CID177072799
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
SMILESCC(C)(C)CN1CC(N2CCC(C3CCC(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C23H44N2/c1-22(2,3)17-24-15-21(16-24)25-13-11-19(12-14-25)18-7-9-20(10-8-18)23(4,5)6/h18-21H,7-17H2,1-6H3
InChIKeyRPDRYHLCWPNBTN-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
CID 164717118
1-(1-tert-butylazetidin-3-yl)-4-[4-[4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazin-1-yl]-2,4-dimethylpentan-2-yl]piperazine
CID 138657278
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
CID 169016284
1-(azetidin-3-yl)-4-tert-butylpiperidine
CID 62785369
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine (CID 177072799) is 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine is CC(C)(C)CN1CC(N2CCC(C3CCC(C(C)(C)C)CC3)CC2)C1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?
The InChIKey is RPDRYHLCWPNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-22(2,3)17-24-15-21(16-24)25-13-11-19(12-14-25)18-7-9-20(10-8-18)23(4,5)6/h18-21H,7-17H2,1-6H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine?
4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine has a molecular weight of 348.62 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine is sourced from PubChem (CID 177072799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).