[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine

C16H26N2O — CID 43253349

IUPAC[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CCCCN1CCCOc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-14-5-2-3-10-18(14)11-4-12-19-16-8-6-15(13-17)7-9-16/h6-9,14H,2-5,10-13,17H2,1H3
InChIKeyPTXKQMYAUZICIA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds6

About [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine

[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine (PubChem CID 43253349) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
PubChem CID43253349
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CCCCN1CCCOc1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-14-5-2-3-10-18(14)11-4-12-19-16-8-6-15(13-17)7-9-16/h6-9,14H,2-5,10-13,17H2,1H3
InChIKeyPTXKQMYAUZICIA-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
CID 172987127
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine (CID 43253349) is [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine is CC1CCCCN1CCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is PTXKQMYAUZICIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-2-3-10-18(14)11-4-12-19-16-8-6-15(13-17)7-9-16/h6-9,14H,2-5,10-13,17H2,1H3.
What are the key properties of [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine?
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 43253349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).