N-pent-4-en-2-yl-1-phenylpiperidin-4-amine

C16H24N2 — CID 103902346

IUPACN-pent-4-en-2-yl-1-phenylpiperidin-4-amine
SMILESC=CCC(C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-7-14(2)17-15-10-12-18(13-11-15)16-8-5-4-6-9-16/h3-6,8-9,14-15,17H,1,7,10-13H2,2H3
InChIKeyOHKSQCGRHOUHOC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.21
Rot. Bonds5

About N-pent-4-en-2-yl-1-phenylpiperidin-4-amine

N-pent-4-en-2-yl-1-phenylpiperidin-4-amine (PubChem CID 103902346) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-pent-4-en-2-yl-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-pent-4-en-2-yl-1-phenylpiperidin-4-amine
PubChem CID103902346
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-pent-4-en-2-yl-1-phenylpiperidin-4-amine
SMILESC=CCC(C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-7-14(2)17-15-10-12-18(13-11-15)16-8-5-4-6-9-16/h3-6,8-9,14-15,17H,1,7,10-13H2,2H3
InChIKeyOHKSQCGRHOUHOC-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.21
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

1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
N1-Cyclohexyl-N4-phenyl-1,4-benzenediamine
CID 92093

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yl-1-phenylpiperidin-4-amine?
The IUPAC name of N-pent-4-en-2-yl-1-phenylpiperidin-4-amine (CID 103902346) is N-pent-4-en-2-yl-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-pent-4-en-2-yl-1-phenylpiperidin-4-amine?
The canonical SMILES for N-pent-4-en-2-yl-1-phenylpiperidin-4-amine is C=CCC(C)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-pent-4-en-2-yl-1-phenylpiperidin-4-amine?
The InChIKey is OHKSQCGRHOUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-7-14(2)17-15-10-12-18(13-11-15)16-8-5-4-6-9-16/h3-6,8-9,14-15,17H,1,7,10-13H2,2H3.
What are the key properties of N-pent-4-en-2-yl-1-phenylpiperidin-4-amine?
N-pent-4-en-2-yl-1-phenylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yl-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103902346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).