2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol

C18H30N2O — CID 43205645

IUPAC2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
SMILESCCC(NCCCN1CCC(C)CC1)c1ccccc1O
InChIInChI=1S/C18H30N2O/c1-3-17(16-7-4-5-8-18(16)21)19-11-6-12-20-13-9-15(2)10-14-20/h4-5,7-8,15,17,19,21H,3,6,9-14H2,1-2H3
InChIKeyNDVFPPDDTHVHQS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.55
Rot. Bonds7

About 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol

2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol (PubChem CID 43205645) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
PubChem CID43205645
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
SMILESCCC(NCCCN1CCC(C)CC1)c1ccccc1O
InChIInChI=1S/C18H30N2O/c1-3-17(16-7-4-5-8-18(16)21)19-11-6-12-20-13-9-15(2)10-14-20/h4-5,7-8,15,17,19,21H,3,6,9-14H2,1-2H3
InChIKeyNDVFPPDDTHVHQS-UHFFFAOYSA-N
XLogP3.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol?
The IUPAC name of 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol (CID 43205645) is 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol?
The canonical SMILES for 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol is CCC(NCCCN1CCC(C)CC1)c1ccccc1O.
What is the InChIKey of 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol?
The InChIKey is NDVFPPDDTHVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-17(16-7-4-5-8-18(16)21)19-11-6-12-20-13-9-15(2)10-14-20/h4-5,7-8,15,17,19,21H,3,6,9-14H2,1-2H3.
What are the key properties of 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol?
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol is sourced from PubChem (CID 43205645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).