2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol

C15H30N2O — CID 112734610

IUPAC2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
SMILESCCC1CCC(C)N(CCC(CO)NC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-3-13-5-4-12(2)17(10-13)9-8-15(11-18)16-14-6-7-14/h12-16,18H,3-11H2,1-2H3
InChIKeyQZPOKCZDVFQPAT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds7

About 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol

2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol (PubChem CID 112734610) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
PubChem CID112734610
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
SMILESCCC1CCC(C)N(CCC(CO)NC2CC2)C1
InChIInChI=1S/C15H30N2O/c1-3-13-5-4-12(2)17(10-13)9-8-15(11-18)16-14-6-7-14/h12-16,18H,3-11H2,1-2H3
InChIKeyQZPOKCZDVFQPAT-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol (CID 112734610) is 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol is CCC1CCC(C)N(CCC(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol?
The InChIKey is QZPOKCZDVFQPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13-5-4-12(2)17(10-13)9-8-15(11-18)16-14-6-7-14/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol?
2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 112734610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).