1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol

C16H34N2O — CID 83994194

IUPAC1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCCN1CC(CC(O)C(C)C)CC(NCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-18-10-14(8-16(19)13(4)5)7-15(11-18)17-9-12(2)3/h12-17,19H,6-11H2,1-5H3
InChIKeyROLTWCIFSYZVAR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.35
Rot. Bonds7

About 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol

1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol (PubChem CID 83994194) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
PubChem CID83994194
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCCN1CC(CC(O)C(C)C)CC(NCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-18-10-14(8-16(19)13(4)5)7-15(11-18)17-9-12(2)3/h12-17,19H,6-11H2,1-5H3
InChIKeyROLTWCIFSYZVAR-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol (CID 83994194) is 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol is CCN1CC(CC(O)C(C)C)CC(NCC(C)C)C1.
What is the InChIKey of 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The InChIKey is ROLTWCIFSYZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-18-10-14(8-16(19)13(4)5)7-15(11-18)17-9-12(2)3/h12-17,19H,6-11H2,1-5H3.
What are the key properties of 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol?
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 83994194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).