[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine

C16H26N2 — CID 83053433

IUPAC[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCCCN1Cc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-2-7-16-10-5-6-11-18(16)13-15-9-4-3-8-14(15)12-17/h3-4,8-9,16H,2,5-7,10-13,17H2,1H3
InChIKeyNABKBQVEVYLJEZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.30
Rot. Bonds5

About [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine

[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 83053433) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID83053433
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCCCN1Cc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-2-7-16-10-5-6-11-18(16)13-15-9-4-3-8-14(15)12-17/h3-4,8-9,16H,2,5-7,10-13,17H2,1H3
InChIKeyNABKBQVEVYLJEZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-propylpiperidine
CID 71407726
[2-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 83062329
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
CID 83057106
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 83044306
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
4-bromo-3-[(2-propylpiperidin-1-yl)methyl]aniline
CID 83056021
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110

Frequently Asked Questions

What is the IUPAC name of [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine (CID 83053433) is [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine is CCCC1CCCCN1Cc1ccccc1CN.
What is the InChIKey of [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is NABKBQVEVYLJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-7-16-10-5-6-11-18(16)13-15-9-4-3-8-14(15)12-17/h3-4,8-9,16H,2,5-7,10-13,17H2,1H3.
What are the key properties of [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 83053433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).