4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine

C29H49N3O2 — CID 23142601

IUPAC4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
SMILESCCCCN1CCN(c2cc(N3CCOCC3)c(OC)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C29H49N3O2/c1-6-7-12-30-13-15-31(16-14-30)26-22-27(32-17-19-34-20-18-32)28(33-5)21-25(26)23-8-10-24(11-9-23)29(2,3)4/h21-24H,6-20H2,1-5H3
InChIKeyMTIWWLBDCWNSBI-UHFFFAOYSA-N
MW471.73 g/mol
LogP5.77
Rot. Bonds7

About 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine

4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine (PubChem CID 23142601) has the molecular formula C29H49N3O2 and a molecular weight of 471.73 g/mol. Its IUPAC name is 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
PubChem CID23142601
Molecular FormulaC29H49N3O2
Molecular Weight471.73 g/mol
Exact Mass471.38
IUPAC Name4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine
SMILESCCCCN1CCN(c2cc(N3CCOCC3)c(OC)cc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C29H49N3O2/c1-6-7-12-30-13-15-31(16-14-30)26-22-27(32-17-19-34-20-18-32)28(33-5)21-25(26)23-8-10-24(11-9-23)29(2,3)4/h21-24H,6-20H2,1-5H3
InChIKeyMTIWWLBDCWNSBI-UHFFFAOYSA-N
XLogP5.77
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.73
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine;hydrochloride
CID 23142600
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719
4-[5-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)-2-methoxyphenyl]-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 68975979
N-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-N-methyloxan-4-amine
CID 58767780
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503
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
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
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 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine?
The IUPAC name of 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine (CID 23142601) is 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine.
What is the SMILES notation for 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine?
The canonical SMILES for 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine is CCCCN1CCN(c2cc(N3CCOCC3)c(OC)cc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine?
The InChIKey is MTIWWLBDCWNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49N3O2/c1-6-7-12-30-13-15-31(16-14-30)26-22-27(32-17-19-34-20-18-32)28(33-5)21-25(26)23-8-10-24(11-9-23)29(2,3)4/h21-24H,6-20H2,1-5H3.
What are the key properties of 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine?
4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine has a molecular weight of 471.73 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylcyclohexyl)-5-(4-butylpiperazin-1-yl)-2-methoxyphenyl]morpholine is sourced from PubChem (CID 23142601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).