2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride

C13H27Cl2NO3 — CID 142749440

IUPAC2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCC[C@H](O)C1)C(=O)O.Cl.Cl
InChIInChI=1S/C13H25NO3.2ClH/c1-2-3-5-11(13(16)17)7-9-14-8-4-6-12(15)10-14;;/h11-12,15H,2-10H2,1H3,(H,16,17);2*1H/t11?,12-;;/m0../s1
InChIKeyOWHQIQKRBWMPRC-ZFYUWLNGSA-N
MW316.27 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride

2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride (PubChem CID 142749440) has the molecular formula C13H27Cl2NO3 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
PubChem CID142749440
Molecular FormulaC13H27Cl2NO3
Molecular Weight316.27 g/mol
Exact Mass315.14
IUPAC Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCC[C@H](O)C1)C(=O)O.Cl.Cl
InChIInChI=1S/C13H25NO3.2ClH/c1-2-3-5-11(13(16)17)7-9-14-8-4-6-12(15)10-14;;/h11-12,15H,2-10H2,1H3,(H,16,17);2*1H/t11?,12-;;/m0../s1
InChIKeyOWHQIQKRBWMPRC-ZFYUWLNGSA-N
XLogP2.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 142749388
1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
CID 87702087
CID 87702087
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
2-(3,3-dihydroxypropyl)hexanoic acid
CID 175177467
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
3-[3-(3-hydroxypiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 131931427

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride (CID 142749440) is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride.
What is the SMILES notation for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The canonical SMILES for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride is CCCCC(CCN1CCC[C@H](O)C1)C(=O)O.Cl.Cl.
What is the InChIKey of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The InChIKey is OWHQIQKRBWMPRC-ZFYUWLNGSA-N. The full InChI is InChI=1S/C13H25NO3.2ClH/c1-2-3-5-11(13(16)17)7-9-14-8-4-6-12(15)10-14;;/h11-12,15H,2-10H2,1H3,(H,16,17);2*1H/t11?,12-;;/m0../s1.
What are the key properties of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride is sourced from PubChem (CID 142749440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).