1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol

C13H26N2O — CID 104969021

IUPAC1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-10-4-3-5-11(2)15(10)9-13(16,8-14)12-6-7-12/h10-12,16H,3-9,14H2,1-2H3/t10-,11+,13?
InChIKeyIYLPNZNFUNXERH-QYJAPNMZSA-N
MW226.36 g/mol
LogP1.35
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol

1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 104969021) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
PubChem CID104969021
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1CC(O)(CN)C1CC1
InChIInChI=1S/C13H26N2O/c1-10-4-3-5-11(2)15(10)9-13(16,8-14)12-6-7-12/h10-12,16H,3-9,14H2,1-2H3/t10-,11+,13?
InChIKeyIYLPNZNFUNXERH-QYJAPNMZSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131140899
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
1-amino-2-cyclopropyl-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83057453
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 104967667
1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 64821112
1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
CID 64821615
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
1-amino-3-cyclobutyloxy-2-cyclopropylpropan-2-ol
CID 64819892
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol
CID 64819339
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
CID 104968691

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol (CID 104969021) is 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol is C[C@@H]1CCC[C@H](C)N1CC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The InChIKey is IYLPNZNFUNXERH-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-4-3-5-11(2)15(10)9-13(16,8-14)12-6-7-12/h10-12,16H,3-9,14H2,1-2H3/t10-,11+,13?.
What are the key properties of 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 104969021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).