methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate

C11H19NO3 — CID 129493931

IUPACmethyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(CC2CC2)CC[C@@H]1O
InChIInChI=1S/C11H19NO3/c1-15-11(14)9-7-12(5-4-10(9)13)6-8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyUSQIXVGBMPVIKR-UWVGGRQHSA-N
MW213.28 g/mol
LogP0.25
Rot. Bonds3

About methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate

methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate (PubChem CID 129493931) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
PubChem CID129493931
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(CC2CC2)CC[C@@H]1O
InChIInChI=1S/C11H19NO3/c1-15-11(14)9-7-12(5-4-10(9)13)6-8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyUSQIXVGBMPVIKR-UWVGGRQHSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclobutylmethyl)-4-hydroxypiperidine-3-carboxylate
CID 167433190
methyl 1-butyl-4-hydroxypiperidine-3-carboxylate
CID 121199616
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl (3R,4S)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492978
methyl (3R,4R)-4-hydroxy-1-(3-methoxypropyl)piperidine-3-carboxylate
CID 129492975
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4R)-1-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 175763074
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate?
The IUPAC name of methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate (CID 129493931) is methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate is COC(=O)[C@H]1CN(CC2CC2)CC[C@@H]1O.
What is the InChIKey of methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate?
The InChIKey is USQIXVGBMPVIKR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)9-7-12(5-4-10(9)13)6-8-2-3-8/h8-10,13H,2-7H2,1H3/t9-,10-/m0/s1.
What are the key properties of methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate?
methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-1-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 129493931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).