methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate

C16H27NO3 — CID 134372684

IUPACmethyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCC(C3CCC(O)CN3)CC2)CC1
InChIInChI=1S/C16H27NO3/c1-20-15(19)16(8-9-16)12-4-2-11(3-5-12)14-7-6-13(18)10-17-14/h11-14,17-18H,2-10H2,1H3
InChIKeyGBWNZANTONKALZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.86
Rot. Bonds3

About methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate

methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate (PubChem CID 134372684) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate
PubChem CID134372684
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namemethyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCC(C3CCC(O)CN3)CC2)CC1
InChIInChI=1S/C16H27NO3/c1-20-15(19)16(8-9-16)12-4-2-11(3-5-12)14-7-6-13(18)10-17-14/h11-14,17-18H,2-10H2,1H3
InChIKeyGBWNZANTONKALZ-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
methyl (1S,5S,8R)-8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 130985038
methyl 1-(thiolan-3-yl)cyclopropane-1-carboxylate
CID 176838404
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 3-cyclohexyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 87200807
methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylate
CID 167739534
methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838382
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate (CID 134372684) is methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate is COC(=O)C1(C2CCC(C3CCC(O)CN3)CC2)CC1.
What is the InChIKey of methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate?
The InChIKey is GBWNZANTONKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-20-15(19)16(8-9-16)12-4-2-11(3-5-12)14-7-6-13(18)10-17-14/h11-14,17-18H,2-10H2,1H3.
What are the key properties of methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate?
methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 134372684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).