methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

C8H15NO3 — CID 121340788

IUPACmethyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-4-2-3-7(5-9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyCSZMVZXQIKDBRB-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds1

About methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 121340788) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID121340788
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-4-2-3-7(5-9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyCSZMVZXQIKDBRB-ZETCQYMHSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl 3-(iodomethyl)piperidine-1-carboxylate
CID 143863584
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 112716648
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate (CID 121340788) is methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate is COC(=O)N1CCC[C@H](CO)C1.
What is the InChIKey of methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is CSZMVZXQIKDBRB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)9-4-2-3-7(5-9)6-10/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 121340788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).