1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine

C28H47N3 — CID 23141926

IUPAC1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H47N3/c1-5-15-29-18-20-31(21-19-29)27-14-13-25(30-16-7-6-8-17-30)22-26(27)23-9-11-24(12-10-23)28(2,3)4/h13-14,22-24H,5-12,15-21H2,1-4H3
InChIKeyPWXFEMCPIDNLBC-UHFFFAOYSA-N
MW425.71 g/mol
LogP6.53
Rot. Bonds5

About 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine

1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine (PubChem CID 23141926) has the molecular formula C28H47N3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine
PubChem CID23141926
Molecular FormulaC28H47N3
Molecular Weight425.71 g/mol
Exact Mass425.38
IUPAC Name1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H47N3/c1-5-15-29-18-20-31(21-19-29)27-14-13-25(30-16-7-6-8-17-30)22-26(27)23-9-11-24(12-10-23)28(2,3)4/h13-14,22-24H,5-12,15-21H2,1-4H3
InChIKeyPWXFEMCPIDNLBC-UHFFFAOYSA-N
XLogP6.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.71
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-butyl-4-[2-(4-tert-butylcyclohexyl)-4-[4-(2-methoxyethoxy)piperidin-1-yl]phenyl]piperazine;hydrochloride
CID 68977142
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
2-[1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-yl]oxyacetic acid
CID 58767706
[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
CID 23141912
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719
1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)-4-piperidin-1-ylphenyl]piperazine
CID 23142680
1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142219
1-(2-cyclopentylphenyl)-4-propylpiperazine
CID 23142751
1-(cyclopropylmethyl)-4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-ylphenyl]piperazine;hydrochloride
CID 23142955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine (CID 23141926) is 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine is CCCN1CCN(c2ccc(N3CCCCC3)cc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine?
The InChIKey is PWXFEMCPIDNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N3/c1-5-15-29-18-20-31(21-19-29)27-14-13-25(30-16-7-6-8-17-30)22-26(27)23-9-11-24(12-10-23)28(2,3)4/h13-14,22-24H,5-12,15-21H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine?
1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine has a molecular weight of 425.71 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)-4-piperidin-1-ylphenyl]-4-propylpiperazine is sourced from PubChem (CID 23141926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).