2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol

C15H30N2O — CID 103504047

IUPAC2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCNC(CO)(CN1CCC(C(C)C)CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-6-8-17(9-7-13)10-15(11-18,16-3)14-4-5-14/h12-14,16,18H,4-11H2,1-3H3
InChIKeyWPQPZZDZTIUKIZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.71
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol

2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (PubChem CID 103504047) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
PubChem CID103504047
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
SMILESCNC(CO)(CN1CCC(C(C)C)CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)13-6-8-17(9-7-13)10-15(11-18,16-3)14-4-5-14/h12-14,16,18H,4-11H2,1-3H3
InChIKeyWPQPZZDZTIUKIZ-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol (CID 103504047) is 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is CNC(CO)(CN1CCC(C(C)C)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
The InChIKey is WPQPZZDZTIUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)13-6-8-17(9-7-13)10-15(11-18,16-3)14-4-5-14/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 103504047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).