[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride

C21H31ClN2O2 — CID 46197671

IUPAC[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1
InChIInChI=1S/C21H30N2O2.ClH/c24-20-15-18-7-3-2-6-17(18)14-19(20)22-12-8-16(9-13-22)21(25)23-10-4-1-5-11-23;/h2-3,6-7,16,19-20,24H,1,4-5,8-15H2;1H/t19-,20-;/m1./s1
InChIKeyAGFBAKUPGLJNNC-GZJHNZOKSA-N
MW378.94 g/mol
LogP2.66
Rot. Bonds2

About [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride

[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 46197671) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID46197671
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1
InChIInChI=1S/C21H30N2O2.ClH/c24-20-15-18-7-3-2-6-17(18)14-19(20)22-12-8-16(9-13-22)21(25)23-10-4-1-5-11-23;/h2-3,6-7,16,19-20,24H,1,4-5,8-15H2;1H/t19-,20-;/m1./s1
InChIKeyAGFBAKUPGLJNNC-GZJHNZOKSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 122181075
(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-pyridin-3-ylmethanone;oxalic acid
CID 71817330
(5-fluoro-3-pyridinyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 58556871
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 67993152
(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
CID 71819247
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride (CID 46197671) is [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride is Cl.O=C(C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1)N1CCCCC1.
What is the InChIKey of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is AGFBAKUPGLJNNC-GZJHNZOKSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c24-20-15-18-7-3-2-6-17(18)14-19(20)22-12-8-16(9-13-22)21(25)23-10-4-1-5-11-23;/h2-3,6-7,16,19-20,24H,1,4-5,8-15H2;1H/t19-,20-;/m1./s1.
What are the key properties of [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride?
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 46197671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).