1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine

C19H28N2 — CID 4846949

IUPAC1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
SMILESC1=CCC(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16H2
InChIKeyJRENNQJESVDKSH-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.60
Rot. Bonds5

About 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine

1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine (PubChem CID 4846949) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
PubChem CID4846949
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
SMILESC1=CCC(CNC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16H2
InChIKeyJRENNQJESVDKSH-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.60
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-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[(1-benzylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 50961692
1-benzyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 112721976
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
CID 62065627
(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
CID 124670745
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
CID 65073738
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine (CID 4846949) is 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine is C1=CCC(CNC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The InChIKey is JRENNQJESVDKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16H2.
What are the key properties of 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine has a molecular weight of 284.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 4846949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).