N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine

C16H24N2 — CID 119930432

IUPACN-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C16H24N2/c1-2-12-18(13-15-6-4-3-5-7-15)14-16-8-10-17-11-9-16/h2-7,16-17H,1,8-14H2
InChIKeyMREHGPUSSQPBFI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.67
Rot. Bonds6

About N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine

N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 119930432) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
PubChem CID119930432
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C16H24N2/c1-2-12-18(13-15-6-4-3-5-7-15)14-16-8-10-17-11-9-16/h2-7,16-17H,1,8-14H2
InChIKeyMREHGPUSSQPBFI-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
CID 123661547
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
1-benzyl-1-piperidin-4-ylhydrazine
CID 66594796
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 11674680
N-benzyl-4-bromo-N-(piperidin-4-ylmethyl)aniline;hydrochloride
CID 90018953
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79982309
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine (CID 119930432) is N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine is C=CCN(Cc1ccccc1)CC1CCNCC1.
What is the InChIKey of N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is MREHGPUSSQPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-12-18(13-15-6-4-3-5-7-15)14-16-8-10-17-11-9-16/h2-7,16-17H,1,8-14H2.
What are the key properties of N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 119930432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).