[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride

C21H27ClN2O — CID 119519297

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-14(22)15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,12,14-15,19-20H,8-11,13,22H2,1H3;1H
InChIKeyANQFCUXWKAMJMG-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.95
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride (PubChem CID 119519297) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
PubChem CID119519297
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-14(22)15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,12,14-15,19-20H,8-11,13,22H2,1H3;1H
InChIKeyANQFCUXWKAMJMG-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119436442
[4-(methylaminomethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119545280
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
1-[3-(2-naphthalen-2-ylcyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]ethanone
CID 154834111
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride (CID 119519297) is [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride is CC(N)C1CCN(C(=O)C2CC2c2ccc3ccccc3c2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride?
The InChIKey is ANQFCUXWKAMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-14(22)15-8-10-23(11-9-15)21(24)20-13-19(20)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,12,14-15,19-20H,8-11,13,22H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119519297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).