1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol

C18H28N2O — CID 62866735

IUPAC1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C18H28N2O/c21-18(10-2-1-3-11-18)15-19-14-16-6-8-17(9-7-16)20-12-4-5-13-20/h6-9,19,21H,1-5,10-15H2
InChIKeyWYOBHVMEHXBGJF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.07
Rot. Bonds5

About 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 62866735) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID62866735
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C18H28N2O/c21-18(10-2-1-3-11-18)15-19-14-16-6-8-17(9-7-16)20-12-4-5-13-20/h6-9,19,21H,1-5,10-15H2
InChIKeyWYOBHVMEHXBGJF-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 78957539
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 62866735) is 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc(N3CCCC3)cc2)CCCCC1.
What is the InChIKey of 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WYOBHVMEHXBGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18(10-2-1-3-11-18)15-19-14-16-6-8-17(9-7-16)20-12-4-5-13-20/h6-9,19,21H,1-5,10-15H2.
What are the key properties of 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62866735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).