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

C13H28N2O — CID 107151382

IUPAC4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC1CCCNC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)7-12(16)10-15-9-11-5-4-6-14-8-11/h11-12,14-16H,4-10H2,1-3H3
InChIKeyBUFPKICLZFOYQJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.37
Rot. Bonds5

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

4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol (PubChem CID 107151382) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
PubChem CID107151382
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC1CCCNC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)7-12(16)10-15-9-11-5-4-6-14-8-11/h11-12,14-16H,4-10H2,1-3H3
InChIKeyBUFPKICLZFOYQJ-UHFFFAOYSA-N
XLogP1.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
CID 107151421
2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
CID 80555810
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 80553591
3-(2,2-dimethylpropyl)piperidine
CID 21041533
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol (CID 107151382) is 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol is CC(C)(C)CC(O)CNCC1CCCNC1.
What is the InChIKey of 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol?
The InChIKey is BUFPKICLZFOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)7-12(16)10-15-9-11-5-4-6-14-8-11/h11-12,14-16H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol?
4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(piperidin-3-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 107151382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).