4-(azetidin-1-yl)-1-propan-2-ylpiperidine

C11H22N2 — CID 21054794

IUPAC4-(azetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CCC2)CC1
InChIInChI=1S/C11H22N2/c1-10(2)12-8-4-11(5-9-12)13-6-3-7-13/h10-11H,3-9H2,1-2H3
InChIKeyXWRWESBERNYVEC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds2

About 4-(azetidin-1-yl)-1-propan-2-ylpiperidine

4-(azetidin-1-yl)-1-propan-2-ylpiperidine (PubChem CID 21054794) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-propan-2-ylpiperidine
PubChem CID21054794
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-(azetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CCC2)CC1
InChIInChI=1S/C11H22N2/c1-10(2)12-8-4-11(5-9-12)13-6-3-7-13/h10-11H,3-9H2,1-2H3
InChIKeyXWRWESBERNYVEC-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-amine
CID 170184824
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
1-cyclohexylazetidine;2-methylpropane
CID 178017193
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
CID 66203370
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(azetidin-1-yl)-1-propan-2-ylpiperidine (CID 21054794) is 4-(azetidin-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(azetidin-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(azetidin-1-yl)-1-propan-2-ylpiperidine is CC(C)N1CCC(N2CCC2)CC1.
What is the InChIKey of 4-(azetidin-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is XWRWESBERNYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12-8-4-11(5-9-12)13-6-3-7-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(azetidin-1-yl)-1-propan-2-ylpiperidine?
4-(azetidin-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 182.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 21054794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).