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

C19H32N2O — CID 142385955

IUPAC[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
SMILESCC1CCCN(CCCOCCCc2cccc(CN)c2)C1
InChIInChI=1S/C19H32N2O/c1-17-6-3-10-21(16-17)11-5-13-22-12-4-9-18-7-2-8-19(14-18)15-20/h2,7-8,14,17H,3-6,9-13,15-16,20H2,1H3
InChIKeyPGNQZRAPIIKRQU-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.22
Rot. Bonds9

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

[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine (PubChem CID 142385955) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
PubChem CID142385955
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
SMILESCC1CCCN(CCCOCCCc2cccc(CN)c2)C1
InChIInChI=1S/C19H32N2O/c1-17-6-3-10-21(16-17)11-5-13-22-12-4-9-18-7-2-8-19(14-18)15-20/h2,7-8,14,17H,3-6,9-13,15-16,20H2,1H3
InChIKeyPGNQZRAPIIKRQU-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.22
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

ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142364751
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
CID 175666594
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The IUPAC name of [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine (CID 142385955) is [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The canonical SMILES for [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine is CC1CCCN(CCCOCCCc2cccc(CN)c2)C1.
What is the InChIKey of [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
The InChIKey is PGNQZRAPIIKRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-17-6-3-10-21(16-17)11-5-13-22-12-4-9-18-7-2-8-19(14-18)15-20/h2,7-8,14,17H,3-6,9-13,15-16,20H2,1H3.
What are the key properties of [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine?
[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine has a molecular weight of 304.48 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine is sourced from PubChem (CID 142385955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).