(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol

C10H22N2O2 — CID 104931127

IUPAC(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
SMILESCC1CN(C)CCC1NC[C@H](O)CO
InChIInChI=1S/C10H22N2O2/c1-8-6-12(2)4-3-10(8)11-5-9(14)7-13/h8-11,13-14H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyYJCGSQKDIKKQHT-KYHHOPLUSA-N
MW202.30 g/mol
LogP-0.73
Rot. Bonds4

About (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol

(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol (PubChem CID 104931127) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
PubChem CID104931127
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
SMILESCC1CN(C)CCC1NC[C@H](O)CO
InChIInChI=1S/C10H22N2O2/c1-8-6-12(2)4-3-10(8)11-5-9(14)7-13/h8-11,13-14H,3-7H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyYJCGSQKDIKKQHT-KYHHOPLUSA-N
XLogP-0.73
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 114503218
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
methyl 2-bromo-3-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 103268568
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114503518
3-(1-azabicyclo[3.2.1]octan-4-ylamino)propane-1,2-diol
CID 105364686
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol (CID 104931127) is (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol is CC1CN(C)CCC1NC[C@H](O)CO.
What is the InChIKey of (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol?
The InChIKey is YJCGSQKDIKKQHT-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8-6-12(2)4-3-10(8)11-5-9(14)7-13/h8-11,13-14H,3-7H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol?
(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol has a molecular weight of 202.30 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 104931127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).