2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C16H23F3N2 — CID 103366109

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H23F3N2/c17-16(18,19)15(11-20)12-21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,20H2
InChIKeyQJHPYACZZISSHP-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.08
Rot. Bonds5

About 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366109) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366109
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H23F3N2/c17-16(18,19)15(11-20)12-21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,20H2
InChIKeyQJHPYACZZISSHP-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
CID 15329907
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
CID 65011955
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
CID 63573249
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
CID 22351223
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 90103620
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366109) is 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is NCC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is QJHPYACZZISSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c17-16(18,19)15(11-20)12-21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,20H2.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 300.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).