(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol

C10H22N2O — CID 103906380

IUPAC(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1CN(C)CCC1NC[C@H](C)O
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)5-4-10(8)11-6-9(2)13/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyAPNXREAMJZQCEI-KYHHOPLUSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds3

About (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol

(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103906380) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103906380
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1CN(C)CCC1NC[C@H](C)O
InChIInChI=1S/C10H22N2O/c1-8-7-12(3)5-4-10(8)11-6-9(2)13/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyAPNXREAMJZQCEI-KYHHOPLUSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(1,3-dimethylpiperidin-4-yl)amino]propane-1,2-diol
CID 104931127
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 114503218
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
methyl 2-bromo-3-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 103268568
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
1,3-dimethyl-N-(2-methylidenebutyl)piperidin-4-amine
CID 114503399

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol (CID 103906380) is (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol is CC1CN(C)CCC1NC[C@H](C)O.
What is the InChIKey of (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is APNXREAMJZQCEI-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-7-12(3)5-4-10(8)11-6-9(2)13/h8-11,13H,4-7H2,1-3H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol?
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103906380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).