6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C31H40N4O — CID 22624295

IUPAC6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(c1ccc(-c2cccc(N)n2)c(OC2CCCCC2)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C31H40N4O/c1-24(35-21-19-34(20-22-35)18-17-25-9-4-2-5-10-25)26-15-16-28(29-13-8-14-31(32)33-29)30(23-26)36-27-11-6-3-7-12-27/h2,4-5,8-10,13-16,23-24,27H,3,6-7,11-12,17-22H2,1H3,(H2,32,33)
InChIKeyPLSMWSOPBSWONK-UHFFFAOYSA-N
MW484.69 g/mol
LogP5.96
Rot. Bonds8

About 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 22624295) has the molecular formula C31H40N4O and a molecular weight of 484.69 g/mol. Its IUPAC name is 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID22624295
Molecular FormulaC31H40N4O
Molecular Weight484.69 g/mol
Exact Mass484.32
IUPAC Name6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(c1ccc(-c2cccc(N)n2)c(OC2CCCCC2)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C31H40N4O/c1-24(35-21-19-34(20-22-35)18-17-25-9-4-2-5-10-25)26-15-16-28(29-13-8-14-31(32)33-29)30(23-26)36-27-11-6-3-7-12-27/h2,4-5,8-10,13-16,23-24,27H,3,6-7,11-12,17-22H2,1H3,(H2,32,33)
InChIKeyPLSMWSOPBSWONK-UHFFFAOYSA-N
XLogP5.96
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 22624295) is 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is CC(c1ccc(-c2cccc(N)n2)c(OC2CCCCC2)c1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is PLSMWSOPBSWONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O/c1-24(35-21-19-34(20-22-35)18-17-25-9-4-2-5-10-25)26-15-16-28(29-13-8-14-31(32)33-29)30(23-26)36-27-11-6-3-7-12-27/h2,4-5,8-10,13-16,23-24,27H,3,6-7,11-12,17-22H2,1H3,(H2,32,33).
What are the key properties of 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 484.69 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclohexyloxy-4-[1-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 22624295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).