1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine

C17H25N3 — CID 131196455

IUPAC1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H25N3/c1-14-12-19(13-15-6-3-2-4-7-15)11-9-16(14)20-10-5-8-17(20)18/h2-4,6-7,14,16,18H,5,8-13H2,1H3/b18-17+
InChIKeyVNPYEFLWJBIECH-ISLYRVAYSA-N
MW271.41 g/mol
LogP2.97
Rot. Bonds3

About 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine

1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine (PubChem CID 131196455) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine
PubChem CID131196455
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H25N3/c1-14-12-19(13-15-6-3-2-4-7-15)11-9-16(14)20-10-5-8-17(20)18/h2-4,6-7,14,16,18H,5,8-13H2,1H3/b18-17+
InChIKeyVNPYEFLWJBIECH-ISLYRVAYSA-N
XLogP2.97
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine
CID 3064195
(3Z)-1-[(3R)-1-benzyl-3-methylpiperidin-4-yl]-3-ethylideneindol-2-one
CID 59058961
1-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-ethylideneindol-2-one
CID 123704216
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine?
The IUPAC name of 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine (CID 131196455) is 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine?
The canonical SMILES for 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C1CCN(Cc2ccccc2)CC1C.
What is the InChIKey of 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine?
The InChIKey is VNPYEFLWJBIECH-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-12-19(13-15-6-3-2-4-7-15)11-9-16(14)20-10-5-8-17(20)18/h2-4,6-7,14,16,18H,5,8-13H2,1H3/b18-17+.
What are the key properties of 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine?
1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine has a molecular weight of 271.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methylpiperidin-4-yl)pyrrolidin-2-imine is sourced from PubChem (CID 131196455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).