2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol

C13H28N2O — CID 81414181

IUPAC2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-13(2,12-16)11-14-7-6-10-15-8-4-3-5-9-15/h14,16H,3-12H2,1-2H3
InChIKeyFHMCKJMRGUZHIU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds7

About 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol

2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol (PubChem CID 81414181) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
PubChem CID81414181
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
SMILESCC(C)(CO)CNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O/c1-13(2,12-16)11-14-7-6-10-15-8-4-3-5-9-15/h14,16H,3-12H2,1-2H3
InChIKeyFHMCKJMRGUZHIU-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
CID 81413621
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 104760546
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 115651559
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 115513697

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol (CID 81414181) is 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol is CC(C)(CO)CNCCCN1CCCCC1.
What is the InChIKey of 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol?
The InChIKey is FHMCKJMRGUZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,12-16)11-14-7-6-10-15-8-4-3-5-9-15/h14,16H,3-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol?
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol is sourced from PubChem (CID 81414181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).