(1-phenylcyclobutyl)-piperidin-1-ylmethanimine

C16H22N2 — CID 63179669

IUPAC(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2/c17-15(18-12-5-2-6-13-18)16(10-7-11-16)14-8-3-1-4-9-14/h1,3-4,8-9,17H,2,5-7,10-13H2/b17-15-
InChIKeyQHGVBAPPZZSIHX-ICFOKQHNSA-N
MW242.37 g/mol
LogP3.57
Rot. Bonds2

About (1-phenylcyclobutyl)-piperidin-1-ylmethanimine

(1-phenylcyclobutyl)-piperidin-1-ylmethanimine (PubChem CID 63179669) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (1-phenylcyclobutyl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
PubChem CID63179669
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22N2/c17-15(18-12-5-2-6-13-18)16(10-7-11-16)14-8-3-1-4-9-14/h1,3-4,8-9,17H,2,5-7,10-13H2/b17-15-
InChIKeyQHGVBAPPZZSIHX-ICFOKQHNSA-N
XLogP3.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine
CID 63179177
3,3-diphenyl-2-(piperidine-1-carboximidoyl)oxirane-2-carbonitrile
CID 10449382
1-(1-phenylcyclobutyl)ethanimine
CID 58488751
1-phenylcyclobutane-1-carboximidamide
CID 46941849
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
3-oxo-2-(1-phenylcyclohexyl)-3-piperidin-1-ylpropanoic acid
CID 173102704
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
ethyl 1-phenylcyclobutane-1-carboximidate
CID 63079703
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclobutyl)-piperidin-1-ylmethanimine?
The IUPAC name of (1-phenylcyclobutyl)-piperidin-1-ylmethanimine (CID 63179669) is (1-phenylcyclobutyl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (1-phenylcyclobutyl)-piperidin-1-ylmethanimine?
The canonical SMILES for (1-phenylcyclobutyl)-piperidin-1-ylmethanimine is [H]/N=C(\N1CCCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of (1-phenylcyclobutyl)-piperidin-1-ylmethanimine?
The InChIKey is QHGVBAPPZZSIHX-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2/c17-15(18-12-5-2-6-13-18)16(10-7-11-16)14-8-3-1-4-9-14/h1,3-4,8-9,17H,2,5-7,10-13H2/b17-15-.
What are the key properties of (1-phenylcyclobutyl)-piperidin-1-ylmethanimine?
(1-phenylcyclobutyl)-piperidin-1-ylmethanimine has a molecular weight of 242.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclobutyl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 63179669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).