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

C13H28N2O — CID 106349015

IUPAC4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)15-10-11-6-4-5-8-14-11/h11-12,14-16H,4-10H2,1-3H3
InChIKeyPNDWUVFPUJCSSM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.52
Rot. Bonds5

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

4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol (PubChem CID 106349015) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
PubChem CID106349015
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)NCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)15-10-11-6-4-5-8-14-11/h11-12,14-16H,4-10H2,1-3H3
InChIKeyPNDWUVFPUJCSSM-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
CID 106156720
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
CID 106633804
2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
CID 107850497
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
N-(piperidin-2-ylmethyl)hexan-2-amine
CID 62199509
methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
(R)-(2-methoxycyclohexyl)-(piperidin-2-ylmethylamino)methanol
CID 163557222
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol (CID 106349015) is 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol is CC(C)(C)C(CCO)NCC1CCCCN1.
What is the InChIKey of 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol?
The InChIKey is PNDWUVFPUJCSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)15-10-11-6-4-5-8-14-11/h11-12,14-16H,4-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol?
4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(piperidin-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 106349015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).