1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol

C17H26N2O — CID 63179697

IUPAC1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(10-2-1-3-11-17)14-18-15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9,18,20H,1-5,10-14H2
InChIKeyHKZDWPWGNNFCFQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.39
Rot. Bonds4

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

1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol (PubChem CID 63179697) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
PubChem CID63179697
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(10-2-1-3-11-17)14-18-15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9,18,20H,1-5,10-14H2
InChIKeyHKZDWPWGNNFCFQ-UHFFFAOYSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol (CID 63179697) is 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol is OC1(CNc2ccc(N3CCCC3)cc2)CCCCC1.
What is the InChIKey of 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol?
The InChIKey is HKZDWPWGNNFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(10-2-1-3-11-17)14-18-15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9,18,20H,1-5,10-14H2.
What are the key properties of 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol?
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63179697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).