[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid

C10H20N2O4 — CID 154258087

IUPAC[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
SMILESCOCC(O)CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H20N2O4/c1-16-7-9(13)6-12-4-2-8(3-5-12)11-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyRMAKIEOFNLLINP-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.27
Rot. Bonds5

About [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid

[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid (PubChem CID 154258087) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
PubChem CID154258087
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
SMILESCOCC(O)CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H20N2O4/c1-16-7-9(13)6-12-4-2-8(3-5-12)11-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyRMAKIEOFNLLINP-UHFFFAOYSA-N
XLogP-0.27
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide
CID 75392754
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)amino]acetamide
CID 63929849
N-[4-[[[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 71907092
N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 97079220
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]urea
CID 126770316
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490017

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid (CID 154258087) is [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid is COCC(O)CN1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid?
The InChIKey is RMAKIEOFNLLINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-16-7-9(13)6-12-4-2-8(3-5-12)11-10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid?
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid has a molecular weight of 232.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 154258087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).