[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H22ClN3O — CID 171357957

IUPAC[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCN[C@H]1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12;/h4-7,13,16H,2-3,8-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyMKACSCPWYBGBHT-ZOWNYOTGSA-N
MW283.80 g/mol
LogP1.39
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 171357957) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID171357957
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCN[C@H]1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12;/h4-7,13,16H,2-3,8-10,15H2,1H3;1H/t13-;/m0./s1
InChIKeyMKACSCPWYBGBHT-ZOWNYOTGSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 119491018
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 171357957) is [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CN[C@H]1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is MKACSCPWYBGBHT-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-16-13-3-2-8-17(10-13)14(18)12-6-4-11(9-15)5-7-12;/h4-7,13,16H,2-3,8-10,15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 171357957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).