1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride

C20H31ClN2O2 — CID 119469306

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H30N2O2.ClH/c21-15-17-7-3-4-13-22(17)20(23)12-11-16-6-5-10-19(14-16)24-18-8-1-2-9-18;/h5-6,10,14,17-18H,1-4,7-9,11-13,15,21H2;1H
InChIKeyQSEWICRXXBLEMS-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride (PubChem CID 119469306) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
PubChem CID119469306
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)CCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H30N2O2.ClH/c21-15-17-7-3-4-13-22(17)20(23)12-11-16-6-5-10-19(14-16)24-18-8-1-2-9-18;/h5-6,10,14,17-18H,1-4,7-9,11-13,15,21H2;1H
InChIKeyQSEWICRXXBLEMS-UHFFFAOYSA-N
XLogP3.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 62366943
1-[2-(aminomethyl)azepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 116639940
1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119381224
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119466699
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one
CID 124573406
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580262
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 119469653
3-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409448
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one
CID 119467261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride (CID 119469306) is 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride is Cl.NCC1CCCCN1C(=O)CCc1cccc(OC2CCCC2)c1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
The InChIKey is QSEWICRXXBLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c21-15-17-7-3-4-13-22(17)20(23)12-11-16-6-5-10-19(14-16)24-18-8-1-2-9-18;/h5-6,10,14,17-18H,1-4,7-9,11-13,15,21H2;1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 119469306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).