1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol

C14H30N2O — CID 64818689

IUPAC1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
SMILESCCC1CCN(CCCCC(C)(O)CN)CC1
InChIInChI=1S/C14H30N2O/c1-3-13-6-10-16(11-7-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3
InChIKeySYSAXKIFOIGWDS-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds7

About 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol

1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol (PubChem CID 64818689) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
PubChem CID64818689
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
SMILESCCC1CCN(CCCCC(C)(O)CN)CC1
InChIInChI=1S/C14H30N2O/c1-3-13-6-10-16(11-7-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3
InChIKeySYSAXKIFOIGWDS-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
1-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-2-ol
CID 104692759
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657
1-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64821152
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanoic acid
CID 65254850

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol (CID 64818689) is 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol is CCC1CCN(CCCCC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol?
The InChIKey is SYSAXKIFOIGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-13-6-10-16(11-7-13)9-5-4-8-14(2,17)12-15/h13,17H,3-12,15H2,1-2H3.
What are the key properties of 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol?
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol is sourced from PubChem (CID 64818689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).