4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol

C14H20ClNO — CID 107559480

IUPAC4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-3-16-8-6-14(17,7-9-16)12-5-4-11(2)13(15)10-12/h4-5,10,17H,3,6-9H2,1-2H3
InChIKeyNKVXMEJCGJHWKR-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.95
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol

4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol (PubChem CID 107559480) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
PubChem CID107559480
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C14H20ClNO/c1-3-16-8-6-14(17,7-9-16)12-5-4-11(2)13(15)10-12/h4-5,10,17H,3,6-9H2,1-2H3
InChIKeyNKVXMEJCGJHWKR-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol (CID 107559480) is 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol is CCN1CCC(O)(c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol?
The InChIKey is NKVXMEJCGJHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16-8-6-14(17,7-9-16)12-5-4-11(2)13(15)10-12/h4-5,10,17H,3,6-9H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol?
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol is sourced from PubChem (CID 107559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).