1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine

C17H28N2 — CID 83983420

IUPAC1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
SMILESCCC(N)CC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-3-17(18)12-15-7-9-19(10-8-15)13-16-6-4-5-14(2)11-16/h4-6,11,15,17H,3,7-10,12-13,18H2,1-2H3
InChIKeyRLHZGARTDSERHR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.33
Rot. Bonds5

About 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine

1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine (PubChem CID 83983420) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
PubChem CID83983420
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
SMILESCCC(N)CC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2/c1-3-17(18)12-15-7-9-19(10-8-15)13-16-6-4-5-14(2)11-16/h4-6,11,15,17H,3,7-10,12-13,18H2,1-2H3
InChIKeyRLHZGARTDSERHR-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-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine (CID 83983420) is 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine is CCC(N)CC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine?
The InChIKey is RLHZGARTDSERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-17(18)12-15-7-9-19(10-8-15)13-16-6-4-5-14(2)11-16/h4-6,11,15,17H,3,7-10,12-13,18H2,1-2H3.
What are the key properties of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine?
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-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-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine is sourced from PubChem (CID 83983420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).