N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine

C16H25N3 — CID 66187288

IUPACN-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
SMILESCN(C1CNC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3/c1-18(16-10-17-11-16)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3
InChIKeyISHXQSQSGUWWCS-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.55
Rot. Bonds4

About N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine

N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine (PubChem CID 66187288) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
PubChem CID66187288
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine
SMILESCN(C1CNC1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3/c1-18(16-10-17-11-16)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3
InChIKeyISHXQSQSGUWWCS-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
CID 104870055
1-benzyl-3-methylpiperidine
CID 2794856
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
CID 133483749
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine?
The IUPAC name of N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine (CID 66187288) is N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine.
What is the SMILES notation for N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine?
The canonical SMILES for N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine is CN(C1CNC1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine?
The InChIKey is ISHXQSQSGUWWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(16-10-17-11-16)15-8-5-9-19(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3.
What are the key properties of N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine?
N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-benzyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 66187288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).