1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine

C30H51N3O — CID 23141719

IUPAC1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
SMILESCCCCN1CCN(c2cc(OC)c(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H51N3O/c1-6-7-15-31-18-20-33(21-19-31)27-23-29(34-5)28(32-16-9-8-10-17-32)22-26(27)24-11-13-25(14-12-24)30(2,3)4/h22-25H,6-21H2,1-5H3
InChIKeyIYWNPKQKFDBBDZ-UHFFFAOYSA-N
MW469.76 g/mol
LogP6.93
Rot. Bonds7

About 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine

1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine (PubChem CID 23141719) has the molecular formula C30H51N3O and a molecular weight of 469.76 g/mol. Its IUPAC name is 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
PubChem CID23141719
Molecular FormulaC30H51N3O
Molecular Weight469.76 g/mol
Exact Mass469.40
IUPAC Name1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
SMILESCCCCN1CCN(c2cc(OC)c(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C30H51N3O/c1-6-7-15-31-18-20-33(21-19-31)27-23-29(34-5)28(32-16-9-8-10-17-32)22-26(27)24-11-13-25(14-12-24)30(2,3)4/h22-25H,6-21H2,1-5H3
InChIKeyIYWNPKQKFDBBDZ-UHFFFAOYSA-N
XLogP6.93
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.76
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine with MolForge

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Related Compounds

4-[5-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)-2-methoxyphenyl]-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 68975979
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
CID 23142601
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine;hydrochloride
CID 23142600
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503
1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine
CID 23141926
methyl 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoate
CID 58767708
[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
CID 23141912
methyl 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]acetate;hydrochloride
CID 69219040
1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]acetic acid
CID 23141663
1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-[4-(2-methoxyethoxy)piperidin-1-yl]phenyl]piperazine;hydrochloride
CID 68977142

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine?
The IUPAC name of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine (CID 23141719) is 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine.
What is the SMILES notation for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine?
The canonical SMILES for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine is CCCCN1CCN(c2cc(OC)c(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine?
The InChIKey is IYWNPKQKFDBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O/c1-6-7-15-31-18-20-33(21-19-31)27-23-29(34-5)28(32-16-9-8-10-17-32)22-26(27)24-11-13-25(14-12-24)30(2,3)4/h22-25H,6-21H2,1-5H3.
What are the key properties of 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine?
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine has a molecular weight of 469.76 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine is sourced from PubChem (CID 23141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).