4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

C16H35N3O — CID 64825168

IUPAC4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN1CCC(N(C)CCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C16H35N3O/c1-6-19-10-7-15(8-11-19)18(5)12-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyZMWODVPXQWFBIQ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds8

About 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64825168) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64825168
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCN1CCC(N(C)CCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C16H35N3O/c1-6-19-10-7-15(8-11-19)18(5)12-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3
InChIKeyZMWODVPXQWFBIQ-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64825168) is 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is CCN1CCC(N(C)CCC(C)(CO)NC(C)C)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is ZMWODVPXQWFBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-6-19-10-7-15(8-11-19)18(5)12-9-16(4,13-20)17-14(2)3/h14-15,17,20H,6-13H2,1-5H3.
What are the key properties of 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64825168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).