4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol

C17H26N2O — CID 106593760

IUPAC4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c20-17-9-7-16(8-10-17)18-15-5-3-14(4-6-15)13-19-11-1-2-12-19/h3-6,16-18,20H,1-2,7-13H2
InChIKeyBKSWMJPWXGPNEU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds4

About 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol

4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol (PubChem CID 106593760) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
PubChem CID106593760
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c20-17-9-7-16(8-10-17)18-15-5-3-14(4-6-15)13-19-11-1-2-12-19/h3-6,16-18,20H,1-2,7-13H2
InChIKeyBKSWMJPWXGPNEU-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol (CID 106593760) is 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol is OC1CCC(Nc2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The InChIKey is BKSWMJPWXGPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-9-7-16(8-10-17)18-15-5-3-14(4-6-15)13-19-11-1-2-12-19/h3-6,16-18,20H,1-2,7-13H2.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106593760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).