1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

C20H39N3 — CID 167282451

IUPAC1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2CCN(C3CN(C(C)C)C3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-16(2)19-7-9-21(10-8-19)13-18-5-11-22(12-6-18)20-14-23(15-20)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyGXZRACNIWBZBBP-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.16
Rot. Bonds5

About 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 167282451) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
PubChem CID167282451
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2CCN(C3CN(C(C)C)C3)CC2)CC1
InChIInChI=1S/C20H39N3/c1-16(2)19-7-9-21(10-8-19)13-18-5-11-22(12-6-18)20-14-23(15-20)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyGXZRACNIWBZBBP-UHFFFAOYSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine with MolForge

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Related Compounds

1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 171598401
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (CID 167282451) is 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is CC(C)C1CCN(CC2CCN(C3CN(C(C)C)C3)CC2)CC1.
What is the InChIKey of 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is GXZRACNIWBZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-16(2)19-7-9-21(10-8-19)13-18-5-11-22(12-6-18)20-14-23(15-20)17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 321.55 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167282451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).