N-pent-4-enyl-2-piperidin-1-ylaniline

C16H24N2 — CID 21261771

IUPACN-pent-4-enyl-2-piperidin-1-ylaniline
SMILESC=CCCCNc1ccccc1N1CCCCC1
InChIInChI=1S/C16H24N2/c1-2-3-7-12-17-15-10-5-6-11-16(15)18-13-8-4-9-14-18/h2,5-6,10-11,17H,1,3-4,7-9,12-14H2
InChIKeyRHYIOJKKMDINMP-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.05
Rot. Bonds6

About N-pent-4-enyl-2-piperidin-1-ylaniline

N-pent-4-enyl-2-piperidin-1-ylaniline (PubChem CID 21261771) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-pent-4-enyl-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-pent-4-enyl-2-piperidin-1-ylaniline
PubChem CID21261771
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-pent-4-enyl-2-piperidin-1-ylaniline
SMILESC=CCCCNc1ccccc1N1CCCCC1
InChIInChI=1S/C16H24N2/c1-2-3-7-12-17-15-10-5-6-11-16(15)18-13-8-4-9-14-18/h2,5-6,10-11,17H,1,3-4,7-9,12-14H2
InChIKeyRHYIOJKKMDINMP-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024
N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
CID 28547630
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
CID 116500925
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enyl-2-piperidin-1-ylaniline?
The IUPAC name of N-pent-4-enyl-2-piperidin-1-ylaniline (CID 21261771) is N-pent-4-enyl-2-piperidin-1-ylaniline.
What is the SMILES notation for N-pent-4-enyl-2-piperidin-1-ylaniline?
The canonical SMILES for N-pent-4-enyl-2-piperidin-1-ylaniline is C=CCCCNc1ccccc1N1CCCCC1.
What is the InChIKey of N-pent-4-enyl-2-piperidin-1-ylaniline?
The InChIKey is RHYIOJKKMDINMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-3-7-12-17-15-10-5-6-11-16(15)18-13-8-4-9-14-18/h2,5-6,10-11,17H,1,3-4,7-9,12-14H2.
What are the key properties of N-pent-4-enyl-2-piperidin-1-ylaniline?
N-pent-4-enyl-2-piperidin-1-ylaniline has a molecular weight of 244.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-2-piperidin-1-ylaniline is sourced from PubChem (CID 21261771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).