2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol

C15H30N2O — CID 83992003

IUPAC2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol
SMILESCC(C)(C)CC1CC(NC2CC2)CN(CCO)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-12-8-14(16-13-4-5-13)11-17(10-12)6-7-18/h12-14,16,18H,4-11H2,1-3H3
InChIKeyPNIWQIYFMZJTCS-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds5

About 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol

2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol (PubChem CID 83992003) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol
PubChem CID83992003
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol
SMILESCC(C)(C)CC1CC(NC2CC2)CN(CCO)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)9-12-8-14(16-13-4-5-13)11-17(10-12)6-7-18/h12-14,16,18H,4-11H2,1-3H3
InChIKeyPNIWQIYFMZJTCS-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanol
CID 83991999
N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542064
2-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83999617
3-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propan-1-ol
CID 83999621
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]ethanol
CID 83996841
N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
1-cyclopropyl-2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83991509
1-(2-aminoethyl)-N-cyclohexyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83999651
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol (CID 83992003) is 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol is CC(C)(C)CC1CC(NC2CC2)CN(CCO)C1.
What is the InChIKey of 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol?
The InChIKey is PNIWQIYFMZJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)9-12-8-14(16-13-4-5-13)11-17(10-12)6-7-18/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol?
2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 83992003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).