1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine

C17H28N2 — CID 83982592

IUPAC1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)17(18)11-16-9-6-10-19(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,18H2,1-2H3
InChIKeyRIZFFOORQBYZGD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds5

About 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine

1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine (PubChem CID 83982592) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
PubChem CID83982592
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14(2)17(18)11-16-9-6-10-19(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,18H2,1-2H3
InChIKeyRIZFFOORQBYZGD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(1-benzylazepan-3-yl)methanamine
CID 15718476
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
1-benzyl-3-methylpiperidine
CID 2794856
1-cyclopentyl-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 83982714
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine (CID 83982592) is 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine is CC(C)C(N)CC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine?
The InChIKey is RIZFFOORQBYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)17(18)11-16-9-6-10-19(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,18H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine?
1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 83982592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).