4-(hydroxymethyl)piperidine-1-carboxylate

C7H12NO3- — CID 18454833

IUPAC4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(CO)CC1
InChIInChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11)/p-1
InChIKeyMSRIZBHRUSVALK-UHFFFAOYSA-M
MW158.18 g/mol
LogP-0.97
Rot. Bonds1

About 4-(hydroxymethyl)piperidine-1-carboxylate

4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 18454833) has the molecular formula C7H12NO3- and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID18454833
Molecular FormulaC7H12NO3-
Molecular Weight158.18 g/mol
Exact Mass158.08
IUPAC Name4-(hydroxymethyl)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(CO)CC1
InChIInChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11)/p-1
InChIKeyMSRIZBHRUSVALK-UHFFFAOYSA-M
XLogP-0.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331
1-[4-(hydroxymethyl)piperidin-1-yl]but-2-en-1-one
CID 76886188
3-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82821924
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
3-chloro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 112624806
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
tris(4-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]but-3-en-2-one);iron
CID 149056484
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of 4-(hydroxymethyl)piperidine-1-carboxylate (CID 18454833) is 4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for 4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for 4-(hydroxymethyl)piperidine-1-carboxylate is O=C([O-])N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is MSRIZBHRUSVALK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO3/c9-5-6-1-3-8(4-2-6)7(10)11/h6,9H,1-5H2,(H,10,11)/p-1.
What are the key properties of 4-(hydroxymethyl)piperidine-1-carboxylate?
4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 158.18 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 18454833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).