2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol

C16H30N2O2 — CID 64827430

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCCN(CC(CO)(NC2CC2)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-15-4-3-9-18(10-15)11-16(12-19,13-5-6-13)17-14-7-8-14/h13-15,17,19H,2-12H2,1H3
InChIKeyYNTYQMHIWQCIMS-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.38
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol (PubChem CID 64827430) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
PubChem CID64827430
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCCN(CC(CO)(NC2CC2)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-20-15-4-3-9-18(10-15)11-16(12-19,13-5-6-13)17-14-7-8-14/h13-15,17,19H,2-12H2,1H3
InChIKeyYNTYQMHIWQCIMS-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
CID 103540761
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propan-1-ol
CID 64827605
3-(azepan-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798444
2-cyclopropyl-2-(cyclopropylamino)-3-piperidin-1-ylpropan-1-ol
CID 64790851
2-(cyclopropylamino)-5-(3-ethoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 64827238
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
CID 62270798
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 115562636
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 64797554
2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64827067
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274
1-[2-(bromomethyl)-2-ethylbutyl]-3-ethoxypiperidine
CID 65003831
3-(3-ethoxypiperidin-1-yl)-2,2-dimethylpropanal
CID 62277964

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol (CID 64827430) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol is CCOC1CCCN(CC(CO)(NC2CC2)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol?
The InChIKey is YNTYQMHIWQCIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-15-4-3-9-18(10-15)11-16(12-19,13-5-6-13)17-14-7-8-14/h13-15,17,19H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 64827430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).