1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine

C20H32N2 — CID 83982714

IUPAC1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCc1ccc(CN2CCCC(CC(N)C3CCCC3)C2)cc1
InChIInChI=1S/C20H32N2/c1-16-8-10-17(11-9-16)14-22-12-4-5-18(15-22)13-20(21)19-6-2-3-7-19/h8-11,18-20H,2-7,12-15,21H2,1H3
InChIKeyWXAWRQZYOWLQKP-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.11
Rot. Bonds5

About 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine

1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 83982714) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID83982714
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCc1ccc(CN2CCCC(CC(N)C3CCCC3)C2)cc1
InChIInChI=1S/C20H32N2/c1-16-8-10-17(11-9-16)14-22-12-4-5-18(15-22)13-20(21)19-6-2-3-7-19/h8-11,18-20H,2-7,12-15,21H2,1H3
InChIKeyWXAWRQZYOWLQKP-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982699
2-methyl-3-[1-[(4-methylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 83982703
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
CID 83982592
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
CID 83982751

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine (CID 83982714) is 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine is Cc1ccc(CN2CCCC(CC(N)C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is WXAWRQZYOWLQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-16-8-10-17(11-9-16)14-22-12-4-5-18(15-22)13-20(21)19-6-2-3-7-19/h8-11,18-20H,2-7,12-15,21H2,1H3.
What are the key properties of 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 300.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 83982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).