1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol

C13H28N2O — CID 115714806

IUPAC1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCCN1CCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-4-15-7-5-12(6-8-15)14-10-13(16)9-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyMCAQNAUGSOAASD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol

1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 115714806) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID115714806
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCCN1CCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-4-15-7-5-12(6-8-15)14-10-13(16)9-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyMCAQNAUGSOAASD-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
CID 103779736
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
CID 107151769
N'-cyclopropyl-1-(1-ethylpiperidin-4-yl)ethane-1,2-diamine
CID 117238537
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
1-[(3-ethoxycyclobutyl)amino]-4-methylpentan-2-ol
CID 103917750
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
CID 66177156

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol (CID 115714806) is 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol is CCN1CCC(NCC(O)CC(C)C)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is MCAQNAUGSOAASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15-7-5-12(6-8-15)14-10-13(16)9-11(2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol?
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 115714806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).