4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol

C17H26N2O — CID 106593822

IUPAC4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(CN3CCCC3)c2)CC1
InChIInChI=1S/C17H26N2O/c20-17-8-6-15(7-9-17)18-16-5-3-4-14(12-16)13-19-10-1-2-11-19/h3-5,12,15,17-18,20H,1-2,6-11,13H2
InChIKeyZGQOVJDRSYJPGM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds4

About 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol

4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol (PubChem CID 106593822) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
PubChem CID106593822
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(CN3CCCC3)c2)CC1
InChIInChI=1S/C17H26N2O/c20-17-8-6-15(7-9-17)18-16-5-3-4-14(12-16)13-19-10-1-2-11-19/h3-5,12,15,17-18,20H,1-2,6-11,13H2
InChIKeyZGQOVJDRSYJPGM-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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Related Compounds

4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 163265461
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
[3-(cyclopropylamino)phenyl]methanethiol
CID 163530341
1-[[3-[[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]amino]phenyl]methyl]piperidin-4-ol
CID 97055529
1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
CID 75425720
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 42956372
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol (CID 106593822) is 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol is OC1CCC(Nc2cccc(CN3CCCC3)c2)CC1.
What is the InChIKey of 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
The InChIKey is ZGQOVJDRSYJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-8-6-15(7-9-17)18-16-5-3-4-14(12-16)13-19-10-1-2-11-19/h3-5,12,15,17-18,20H,1-2,6-11,13H2.
What are the key properties of 4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol?
4-[3-(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-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 106593822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).