[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride

C16H32Cl2N2O — CID 52994083

IUPAC[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1CCCCN1C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C16H30N2O.2ClH/c19-13-15-7-1-3-10-18(15)12-14-6-5-11-17-9-4-2-8-16(14)17;;/h14-16,19H,1-13H2;2*1H/t14-,15?,16+;;/m0../s1
InChIKeyQQOOYVUHLJFXAI-BQOKTXHKSA-N
MW339.35 g/mol
LogP2.94
Rot. Bonds3

About [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride

[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride (PubChem CID 52994083) has the molecular formula C16H32Cl2N2O and a molecular weight of 339.35 g/mol. Its IUPAC name is [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride
PubChem CID52994083
Molecular FormulaC16H32Cl2N2O
Molecular Weight339.35 g/mol
Exact Mass338.19
IUPAC Name[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1CCCCN1C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C16H30N2O.2ClH/c19-13-15-7-1-3-10-18(15)12-14-6-5-11-17-9-4-2-8-16(14)17;;/h14-16,19H,1-13H2;2*1H/t14-,15?,16+;;/m0../s1
InChIKeyQQOOYVUHLJFXAI-BQOKTXHKSA-N
XLogP2.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride with MolForge

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Related Compounds

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CID 116638244
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[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731

Frequently Asked Questions

What is the IUPAC name of [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride?
The IUPAC name of [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride (CID 52994083) is [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride.
What is the SMILES notation for [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride?
The canonical SMILES for [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride is Cl.Cl.OCC1CCCCN1C[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride?
The InChIKey is QQOOYVUHLJFXAI-BQOKTXHKSA-N. The full InChI is InChI=1S/C16H30N2O.2ClH/c19-13-15-7-1-3-10-18(15)12-14-6-5-11-17-9-4-2-8-16(14)17;;/h14-16,19H,1-13H2;2*1H/t14-,15?,16+;;/m0../s1.
What are the key properties of [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride?
[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride has a molecular weight of 339.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride is sourced from PubChem (CID 52994083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).