3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol

C12H26N2O — CID 120848676

IUPAC3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
SMILESCC(C)(C)C(CO)NCC1CCNCC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)11(9-15)14-8-10-4-6-13-7-5-10/h10-11,13-15H,4-9H2,1-3H3
InChIKeyISJIPMOICPVVEG-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.98
Rot. Bonds4

About 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol

3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol (PubChem CID 120848676) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
PubChem CID120848676
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
SMILESCC(C)(C)C(CO)NCC1CCNCC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)11(9-15)14-8-10-4-6-13-7-5-10/h10-11,13-15H,4-9H2,1-3H3
InChIKeyISJIPMOICPVVEG-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol (CID 120848676) is 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol is CC(C)(C)C(CO)NCC1CCNCC1.
What is the InChIKey of 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol?
The InChIKey is ISJIPMOICPVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)11(9-15)14-8-10-4-6-13-7-5-10/h10-11,13-15H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol?
3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 120848676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).