1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine

C20H40N4 — CID 172511550

IUPAC1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCC(C)N1CCC(CN2CC(N3CCN(C(C)(C)C)CC3)C2)CC1
InChIInChI=1S/C20H40N4/c1-17(2)22-8-6-18(7-9-22)14-21-15-19(16-21)23-10-12-24(13-11-23)20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyQYQMDUPSLRKPAD-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.21
Rot. Bonds4

About 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine

1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 172511550) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
PubChem CID172511550
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
SMILESCC(C)N1CCC(CN2CC(N3CCN(C(C)(C)C)CC3)C2)CC1
InChIInChI=1S/C20H40N4/c1-17(2)22-8-6-18(7-9-22)14-21-15-19(16-21)23-10-12-24(13-11-23)20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyQYQMDUPSLRKPAD-UHFFFAOYSA-N
XLogP2.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine 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

(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
CID 172511600
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 167617800

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine (CID 172511550) is 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine is CC(C)N1CCC(CN2CC(N3CCN(C(C)(C)C)CC3)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is QYQMDUPSLRKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-17(2)22-8-6-18(7-9-22)14-21-15-19(16-21)23-10-12-24(13-11-23)20(3,4)5/h17-19H,6-16H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine?
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 336.57 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 172511550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).