[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine

C16H26N2O — CID 54794622

IUPAC[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
SMILESCCCOc1ccccc1CN1CCCC(CN)C1
InChIInChI=1S/C16H26N2O/c1-2-10-19-16-8-4-3-7-15(16)13-18-9-5-6-14(11-17)12-18/h3-4,7-8,14H,2,5-6,9-13,17H2,1H3
InChIKeyLQVWTGNANACKLM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds6

About [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine

[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 54794622) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
PubChem CID54794622
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
SMILESCCCOc1ccccc1CN1CCCC(CN)C1
InChIInChI=1S/C16H26N2O/c1-2-10-19-16-8-4-3-7-15(16)13-18-9-5-6-14(11-17)12-18/h3-4,7-8,14H,2,5-6,9-13,17H2,1H3
InChIKeyLQVWTGNANACKLM-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine (CID 54794622) is [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine is CCCOc1ccccc1CN1CCCC(CN)C1.
What is the InChIKey of [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is LQVWTGNANACKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-10-19-16-8-4-3-7-15(16)13-18-9-5-6-14(11-17)12-18/h3-4,7-8,14H,2,5-6,9-13,17H2,1H3.
What are the key properties of [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine?
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 54794622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).