4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol

C18H28N2O — CID 115496134

IUPAC4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H28N2O/c1-14(12-15-2-6-18(21)7-3-15)20(17-4-5-17)13-16-8-10-19-11-9-16/h2-3,6-7,14,16-17,19,21H,4-5,8-13H2,1H3
InChIKeyXSOXEDGSROIHGT-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol

4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol (PubChem CID 115496134) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
PubChem CID115496134
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H28N2O/c1-14(12-15-2-6-18(21)7-3-15)20(17-4-5-17)13-16-8-10-19-11-9-16/h2-3,6-7,14,16-17,19,21H,4-5,8-13H2,1H3
InChIKeyXSOXEDGSROIHGT-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 107707670
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
CID 116535691
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
4-(piperidin-4-ylmethyl)phenol
CID 17039495
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
N-[1-(5-methylfuran-2-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79716089
4-(azepan-4-ylmethyl)phenol
CID 83261604

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol (CID 115496134) is 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol?
The InChIKey is XSOXEDGSROIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(12-15-2-6-18(21)7-3-15)20(17-4-5-17)13-16-8-10-19-11-9-16/h2-3,6-7,14,16-17,19,21H,4-5,8-13H2,1H3.
What are the key properties of 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol?
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol has a molecular weight of 288.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol is sourced from PubChem (CID 115496134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).