2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

C19H27ClN2O3 — CID 6735325

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
SMILESCN1CCCC1CCOC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-21-11-2-3-17(21)8-14-25-18(23)22-12-9-19(24,10-13-22)15-4-6-16(20)7-5-15/h4-7,17,24H,2-3,8-14H2,1H3
InChIKeyDJAWXVMMAQBIAZ-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.24
Rot. Bonds4

About 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 6735325) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID6735325
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate
SMILESCN1CCCC1CCOC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-21-11-2-3-17(21)8-14-25-18(23)22-12-9-19(24,10-13-22)15-4-6-16(20)7-5-15/h4-7,17,24H,2-3,8-14H2,1H3
InChIKeyDJAWXVMMAQBIAZ-UHFFFAOYSA-N
XLogP3.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate (CID 6735325) is 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate is CN1CCCC1CCOC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is DJAWXVMMAQBIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-21-11-2-3-17(21)8-14-25-18(23)22-12-9-19(24,10-13-22)15-4-6-16(20)7-5-15/h4-7,17,24H,2-3,8-14H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate?
2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 366.89 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 6735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).