[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone

C22H34N2O3 — CID 162670595

IUPAC[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCC(C(C)(C)C)CC3)CC2)ccc1O
InChIInChI=1S/C22H34N2O3/c1-22(2,3)17-6-8-18(9-7-17)23-11-13-24(14-12-23)21(26)16-5-10-19(25)20(15-16)27-4/h5,10,15,17-18,25H,6-9,11-14H2,1-4H3
InChIKeyAQKVUGBGWJWVFO-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.76
Rot. Bonds3

About [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone

[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone (PubChem CID 162670595) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
PubChem CID162670595
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCC(C(C)(C)C)CC3)CC2)ccc1O
InChIInChI=1S/C22H34N2O3/c1-22(2,3)17-6-8-18(9-7-17)23-11-13-24(14-12-23)21(26)16-5-10-19(25)20(15-16)27-4/h5,10,15,17-18,25H,6-9,11-14H2,1-4H3
InChIKeyAQKVUGBGWJWVFO-UHFFFAOYSA-N
XLogP3.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone 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

4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 11898797
2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 123698522

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone (CID 162670595) is [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone is COc1cc(C(=O)N2CCN(C3CCC(C(C)(C)C)CC3)CC2)ccc1O.
What is the InChIKey of [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is AQKVUGBGWJWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-22(2,3)17-6-8-18(9-7-17)23-11-13-24(14-12-23)21(26)16-5-10-19(25)20(15-16)27-4/h5,10,15,17-18,25H,6-9,11-14H2,1-4H3.
What are the key properties of [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone?
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 374.53 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 162670595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).