5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol

C17H26N2O2 — CID 107707670

IUPAC5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-12(14-8-16(20)10-17(21)9-14)19(15-2-3-15)11-13-4-6-18-7-5-13/h8-10,12-13,15,18,20-21H,2-7,11H2,1H3
InChIKeyCXOBTWCPTKGEOL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds5

About 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol

5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107707670) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
PubChem CID107707670
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(c1cc(O)cc(O)c1)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C17H26N2O2/c1-12(14-8-16(20)10-17(21)9-14)19(15-2-3-15)11-13-4-6-18-7-5-13/h8-10,12-13,15,18,20-21H,2-7,11H2,1H3
InChIKeyCXOBTWCPTKGEOL-UHFFFAOYSA-N
XLogP2.62
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
N-[1-(5-methylfuran-2-yl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79716089
5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
CID 107707910
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017
N-[1-(2-bromophenyl)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715077
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 79707423
5-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]benzene-1,3-diol
CID 107707663
N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
CID 116535691
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924

Frequently Asked Questions

What is the IUPAC name of 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol (CID 107707670) is 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol is CC(c1cc(O)cc(O)c1)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is CXOBTWCPTKGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(14-8-16(20)10-17(21)9-14)19(15-2-3-15)11-13-4-6-18-7-5-13/h8-10,12-13,15,18,20-21H,2-7,11H2,1H3.
What are the key properties of 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol?
5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 290.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).