1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide

C12H24N2O2 — CID 111487608

IUPAC1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCC[C@@H](O)CN1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-4-11(15)9-14-7-5-6-10(8-14)12(16)13(2)3/h10-11,15H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyWATMPHKOACVULV-RRKGBCIJSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds4

About 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide

1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 111487608) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID111487608
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCC[C@@H](O)CN1CCCC(C(=O)N(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-4-11(15)9-14-7-5-6-10(8-14)12(16)13(2)3/h10-11,15H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyWATMPHKOACVULV-RRKGBCIJSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
N,N-dimethyl-1-(oxiran-2-ylmethyl)piperidine-3-carboxamide
CID 102548593
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
2-[4-[(2R)-2-hydroxybutyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 111487415
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
CID 174980443
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
1-(3-ethylsulfanylazepan-1-yl)butan-2-ol
CID 111117965
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide (CID 111487608) is 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide is CC[C@@H](O)CN1CCCC(C(=O)N(C)C)C1.
What is the InChIKey of 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is WATMPHKOACVULV-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-11(15)9-14-7-5-6-10(8-14)12(16)13(2)3/h10-11,15H,4-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 111487608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).