[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride

C19H31ClN2O3 — CID 119469137

IUPAC[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCCCC2CN)cc1OCCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-11-23-17-9-8-15(13-18(17)24-12-4-2)19(22)21-10-6-5-7-16(21)14-20;/h8-9,13,16H,3-7,10-12,14,20H2,1-2H3;1H
InChIKeyMVXASUGEEMEIAF-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.64
Rot. Bonds8

About [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride (PubChem CID 119469137) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
PubChem CID119469137
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCCCC2CN)cc1OCCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-11-23-17-9-8-15(13-18(17)24-12-4-2)19(22)21-10-6-5-7-16(21)14-20;/h8-9,13,16H,3-7,10-12,14,20H2,1-2H3;1H
InChIKeyMVXASUGEEMEIAF-UHFFFAOYSA-N
XLogP3.64
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119633406
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119632800
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119469672
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124573443

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride (CID 119469137) is [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride is CCCOc1ccc(C(=O)N2CCCCC2CN)cc1OCCC.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride?
The InChIKey is MVXASUGEEMEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-3-11-23-17-9-8-15(13-18(17)24-12-4-2)19(22)21-10-6-5-7-16(21)14-20;/h8-9,13,16H,3-7,10-12,14,20H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119469137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).