1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol

C12H26N2O — CID 64820487

IUPAC1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(C)(O)CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-11-5-7-14(8-6-11)10-12(2,15)9-13/h11,15H,3-10,13H2,1-2H3
InChIKeyCXPWSKJHRXQCHA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds5

About 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol

1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol (PubChem CID 64820487) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
PubChem CID64820487
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(C)(O)CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-11-5-7-14(8-6-11)10-12(2,15)9-13/h11,15H,3-10,13H2,1-2H3
InChIKeyCXPWSKJHRXQCHA-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
2-(ethylamino)-2-methyl-3-(4-propylpiperidin-1-yl)propanamide
CID 62204355
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol (CID 64820487) is 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol is CCCC1CCN(CC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is CXPWSKJHRXQCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-11-5-7-14(8-6-11)10-12(2,15)9-13/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 64820487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).