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

C17H28N2O2 — CID 142171776

IUPAC3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O2/c18-10-9-17(20)15-5-7-16(8-6-15)21-14-4-13-19-11-2-1-3-12-19/h5-8,17,20H,1-4,9-14,18H2
InChIKeyZSQBTKQDMLTKBW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds8

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

3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol (PubChem CID 142171776) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
PubChem CID142171776
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O2/c18-10-9-17(20)15-5-7-16(8-6-15)21-14-4-13-19-11-2-1-3-12-19/h5-8,17,20H,1-4,9-14,18H2
InChIKeyZSQBTKQDMLTKBW-UHFFFAOYSA-N
XLogP2.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
2-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 139930605
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol (CID 142171776) is 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol is NCCC(O)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
The InChIKey is ZSQBTKQDMLTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c18-10-9-17(20)15-5-7-16(8-6-15)21-14-4-13-19-11-2-1-3-12-19/h5-8,17,20H,1-4,9-14,18H2.
What are the key properties of 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol?
3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 142171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).