1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride

C19H25ClN2O — CID 119542656

IUPAC1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
SMILESCNCC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-20-14-15-8-10-21(11-9-15)19(22)13-16-6-7-17-4-2-3-5-18(17)12-16;/h2-7,12,15,20H,8-11,13-14H2,1H3;1H
InChIKeyODYFTLZCOJCEJU-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.26
Rot. Bonds4

About 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride

1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride (PubChem CID 119542656) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
PubChem CID119542656
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
SMILESCNCC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-20-14-15-8-10-21(11-9-15)19(22)13-16-6-7-17-4-2-3-5-18(17)12-16;/h2-7,12,15,20H,8-11,13-14H2,1H3;1H
InChIKeyODYFTLZCOJCEJU-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119542661
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119545416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride?
The IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride (CID 119542656) is 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride is CNCC1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.Cl.
What is the InChIKey of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride?
The InChIKey is ODYFTLZCOJCEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-20-14-15-8-10-21(11-9-15)19(22)13-16-6-7-17-4-2-3-5-18(17)12-16;/h2-7,12,15,20H,8-11,13-14H2,1H3;1H.
What are the key properties of 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride?
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride is sourced from PubChem (CID 119542656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).