[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride

C16H25ClN2O2 — CID 119437516

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
SMILESCOCc1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(17)15-8-3-4-9-18(15)16(19)14-7-5-6-13(10-14)11-20-2;/h5-7,10,12,15H,3-4,8-9,11,17H2,1-2H3;1H
InChIKeyYQZIKKVDBBGXTI-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.60
Rot. Bonds4

About [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride (PubChem CID 119437516) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
PubChem CID119437516
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
SMILESCOCc1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(17)15-8-3-4-9-18(15)16(19)14-7-5-6-13(10-14)11-20-2;/h5-7,10,12,15H,3-4,8-9,11,17H2,1-2H3;1H
InChIKeyYQZIKKVDBBGXTI-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 51098117
[2-(1-aminoethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone;hydrochloride
CID 119435274
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride (CID 119437516) is [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride is COCc1cccc(C(=O)N2CCCCC2C(C)N)c1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride?
The InChIKey is YQZIKKVDBBGXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(17)15-8-3-4-9-18(15)16(19)14-7-5-6-13(10-14)11-20-2;/h5-7,10,12,15H,3-4,8-9,11,17H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119437516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).