[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride

C17H25ClN2O — CID 119520750

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12(18)13-7-9-19(10-8-13)17(20)16-6-5-14-3-2-4-15(14)11-16;/h5-6,11-13H,2-4,7-10,18H2,1H3;1H
InChIKeyQAMPAJBKBVEDOO-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.80
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride (PubChem CID 119520750) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
PubChem CID119520750
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12(18)13-7-9-19(10-8-13)17(20)16-6-5-14-3-2-4-15(14)11-16;/h5-6,11-13H,2-4,7-10,18H2,1H3;1H
InChIKeyQAMPAJBKBVEDOO-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119518081
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzamide
CID 119520999
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride (CID 119520750) is [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride is CC(N)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride?
The InChIKey is QAMPAJBKBVEDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-12(18)13-7-9-19(10-8-13)17(20)16-6-5-14-3-2-4-15(14)11-16;/h5-6,11-13H,2-4,7-10,18H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.80, 2 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]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119520750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).