1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol

C13H26N2O — CID 64821615

IUPAC1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1(C)CCCN(CC(O)(CN)C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)6-3-7-15(9-12)10-13(16,8-14)11-4-5-11/h11,16H,3-10,14H2,1-2H3
InChIKeyYFTRVKCPTCUMPO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.21
Rot. Bonds4

About 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol

1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 64821615) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID64821615
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1(C)CCCN(CC(O)(CN)C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)6-3-7-15(9-12)10-13(16,8-14)11-4-5-11/h11,16H,3-10,14H2,1-2H3
InChIKeyYFTRVKCPTCUMPO-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
CID 64790214
1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 64821112
3-[(3,3-dimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 79813270
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 104969021
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
1-amino-2-cyclopropyl-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83057453
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol (CID 64821615) is 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol is CC1(C)CCCN(CC(O)(CN)C2CC2)C1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is YFTRVKCPTCUMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)6-3-7-15(9-12)10-13(16,8-14)11-4-5-11/h11,16H,3-10,14H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol?
1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.21, 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-(3,3-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 64821615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).