2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol

C13H28N2O — CID 106809046

IUPAC2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCN1CCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-3-13(14,11-16)7-4-8-15-9-5-12(2)6-10-15/h12,16H,3-11,14H2,1-2H3
InChIKeyRDNCVJMWPCVURB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol

2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol (PubChem CID 106809046) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol
PubChem CID106809046
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol
SMILESCCC(N)(CO)CCCN1CCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-3-13(14,11-16)7-4-8-15-9-5-12(2)6-10-15/h12,16H,3-11,14H2,1-2H3
InChIKeyRDNCVJMWPCVURB-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
CID 106809070
2-amino-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 106809852
2-amino-2-ethyl-5-(2-methylmorpholin-4-yl)pentan-1-ol
CID 106809098
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-amino-2-ethylpentan-1-ol
CID 106809458
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
CID 81413621
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)butan-1-ol
CID 64828070
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol (CID 106809046) is 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol is CCC(N)(CO)CCCN1CCC(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol?
The InChIKey is RDNCVJMWPCVURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-13(14,11-16)7-4-8-15-9-5-12(2)6-10-15/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol?
2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106809046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).