1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine

C17H28N2 — CID 83982699

IUPAC1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H28N2/c1-3-5-17(18)16-6-4-11-19(13-16)12-15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13,18H2,1-2H3
InChIKeyMIMSHDORWAYGPK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.33
Rot. Bonds5

About 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine

1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine (PubChem CID 83982699) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
PubChem CID83982699
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C17H28N2/c1-3-5-17(18)16-6-4-11-19(13-16)12-15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13,18H2,1-2H3
InChIKeyMIMSHDORWAYGPK-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980822
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 83982714
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982729
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine (CID 83982699) is 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine is CCCC(N)C1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine?
The InChIKey is MIMSHDORWAYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-17(18)16-6-4-11-19(13-16)12-15-9-7-14(2)8-10-15/h7-10,16-17H,3-6,11-13,18H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine?
1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-1-amine is sourced from PubChem (CID 83982699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).