3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol

C16H34N2O — CID 106811287

IUPAC3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-5-16(19,13-17)9-6-10-18-11-7-14(8-12-18)15(2,3)4/h14,19H,5-13,17H2,1-4H3
InChIKeyICYWTFQIRCBKTF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.62
Rot. Bonds6

About 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol

3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol (PubChem CID 106811287) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol
PubChem CID106811287
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-5-16(19,13-17)9-6-10-18-11-7-14(8-12-18)15(2,3)4/h14,19H,5-13,17H2,1-4H3
InChIKeyICYWTFQIRCBKTF-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol (CID 106811287) is 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol is CCC(O)(CN)CCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol?
The InChIKey is ICYWTFQIRCBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(19,13-17)9-6-10-18-11-7-14(8-12-18)15(2,3)4/h14,19H,5-13,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol?
3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol has a molecular weight of 270.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-tert-butylpiperidin-1-yl)hexan-3-ol is sourced from PubChem (CID 106811287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).