1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

C15H30ClNO4 — CID 75273736

IUPAC1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCl.OCC1C(O)C(O)C(O)CN1CCCC1CCCCC1
InChIInChI=1S/C15H29NO4.ClH/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11;/h11-15,17-20H,1-10H2;1H
InChIKeyYTHUDNPTOBWSMJ-UHFFFAOYSA-N
MW323.86 g/mol
LogP0.53
Rot. Bonds5

About 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (PubChem CID 75273736) has the molecular formula C15H30ClNO4 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
PubChem CID75273736
Molecular FormulaC15H30ClNO4
Molecular Weight323.86 g/mol
Exact Mass323.19
IUPAC Name1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCl.OCC1C(O)C(O)C(O)CN1CCCC1CCCCC1
InChIInChI=1S/C15H29NO4.ClH/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11;/h11-15,17-20H,1-10H2;1H
InChIKeyYTHUDNPTOBWSMJ-UHFFFAOYSA-N
XLogP0.53
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-Nonyldeoxynojirimycin
CID 501640
NN-DNJ;Nonyl-DNJ
CID 3272526
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 9882040
Osl-95II
CID 16066800
2-Hydroxymethyl-1-octyl-piperidine-3,4,5-triol
CID 12766488
N-Nonyl-L-ido-1-deoxynojirimycin
CID 25010362
N-Octyl-L-ido-1-deoxynojirimycin
CID 53320432
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[(2R)-2-methylcyclohexoxy]hexyl]piperidine-3,4,5-triol
CID 52936275
(2R,3R,4R,5S)-1-[6-(3,4-dimethylcyclohexyl)oxyhexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 60168108
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(3-methylcyclohexyl)oxyhexyl]piperidine-3,4,5-triol
CID 60170073
(2R,3R,4R,5S)-1-[6-(4-ethylcyclohexyl)oxyhexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 60170075
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-propylcyclohexyl)oxyhexyl]piperidine-3,4,5-triol
CID 60170076

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The IUPAC name of 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (CID 75273736) is 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is Cl.OCC1C(O)C(O)C(O)CN1CCCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The InChIKey is YTHUDNPTOBWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4.ClH/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11;/h11-15,17-20H,1-10H2;1H.
What are the key properties of 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 75273736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).