oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

C17H22ClNO4 — CID 6736627

IUPACoxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1CCOC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO4/c18-15-3-1-14(2-4-15)17(21)6-8-19(9-7-17)16(20)23-12-13-5-10-22-11-13/h1-4,13,21H,5-12H2
InChIKeyNMPCBPUXDADYFQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.80
Rot. Bonds3

About oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 6736627) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID6736627
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Nameoxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
SMILESO=C(OCC1CCOC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO4/c18-15-3-1-14(2-4-15)17(21)6-8-19(9-7-17)16(20)23-12-13-5-10-22-11-13/h1-4,13,21H,5-12H2
InChIKeyNMPCBPUXDADYFQ-UHFFFAOYSA-N
XLogP2.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate (CID 6736627) is oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate is O=C(OCC1CCOC1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is NMPCBPUXDADYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c18-15-3-1-14(2-4-15)17(21)6-8-19(9-7-17)16(20)23-12-13-5-10-22-11-13/h1-4,13,21H,5-12H2.
What are the key properties of oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 6736627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).