3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol

C14H30N2O — CID 103495144

IUPAC3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-5-13(15)14(10-17)16-8-6-12(7-9-16)11(2)3/h11-14,17H,4-10,15H2,1-3H3
InChIKeyLJNJQMIKEZUJIX-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds6

About 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol

3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol (PubChem CID 103495144) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
PubChem CID103495144
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-5-13(15)14(10-17)16-8-6-12(7-9-16)11(2)3/h11-14,17H,4-10,15H2,1-3H3
InChIKeyLJNJQMIKEZUJIX-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol (CID 103495144) is 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol is CCCC(N)C(CO)N1CCC(C(C)C)CC1.
What is the InChIKey of 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol?
The InChIKey is LJNJQMIKEZUJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-5-13(15)14(10-17)16-8-6-12(7-9-16)11(2)3/h11-14,17H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol?
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol is sourced from PubChem (CID 103495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).