5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol

C16H34N2O — CID 106144131

IUPAC5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCCN1CCC(C(C)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C16H34N2O/c1-5-18-10-7-15(8-11-18)14(2)17-13-16(3,4)9-6-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyIKYJBDRCQQQJJI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds8

About 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol

5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106144131) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID106144131
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCCN1CCC(C(C)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C16H34N2O/c1-5-18-10-7-15(8-11-18)14(2)17-13-16(3,4)9-6-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyIKYJBDRCQQQJJI-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol (CID 106144131) is 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol is CCN1CCC(C(C)NCC(C)(C)CCCO)CC1.
What is the InChIKey of 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is IKYJBDRCQQQJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-18-10-7-15(8-11-18)14(2)17-13-16(3,4)9-6-12-19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol?
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpiperidin-4-yl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).