3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol

C19H32N2O2 — CID 69166688

IUPAC3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
SMILESCN(C)CCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H32N2O2/c1-20(2)15-11-19(22)17-7-9-18(10-8-17)23-16-6-14-21-12-4-3-5-13-21/h7-10,19,22H,3-6,11-16H2,1-2H3
InChIKeyZXAREGMWBCOCDD-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.93
Rot. Bonds9

About 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol

3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol (PubChem CID 69166688) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
PubChem CID69166688
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
SMILESCN(C)CCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H32N2O2/c1-20(2)15-11-19(22)17-7-9-18(10-8-17)23-16-6-14-21-12-4-3-5-13-21/h7-10,19,22H,3-6,11-16H2,1-2H3
InChIKeyZXAREGMWBCOCDD-UHFFFAOYSA-N
XLogP2.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 142171776
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
CID 24948507
3-(dimethylamino)-1-(4-hexoxyphenyl)propan-1-ol
CID 82073821
3-(4-methoxyphenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 69239017
3-(4-chlorophenoxy)-N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine;2,2,2-trifluoroacetic acid
CID 69241814
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol (CID 69166688) is 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol is CN(C)CCC(O)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The InChIKey is ZXAREGMWBCOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-20(2)15-11-19(22)17-7-9-18(10-8-17)23-16-6-14-21-12-4-3-5-13-21/h7-10,19,22H,3-6,11-16H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 69166688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).