3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol

C14H30N2O — CID 114496972

IUPAC3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
SMILESCCNCC1CCCCN1CC(O)(CC)CC
InChIInChI=1S/C14H30N2O/c1-4-14(17,5-2)12-16-10-8-7-9-13(16)11-15-6-3/h13,15,17H,4-12H2,1-3H3
InChIKeyNOWUINKWXYWTLG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

About 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol

3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol (PubChem CID 114496972) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
PubChem CID114496972
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
SMILESCCNCC1CCCCN1CC(O)(CC)CC
InChIInChI=1S/C14H30N2O/c1-4-14(17,5-2)12-16-10-8-7-9-13(16)11-15-6-3/h13,15,17H,4-12H2,1-3H3
InChIKeyNOWUINKWXYWTLG-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
CID 114496641
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-2-yl]methyl]ethanamine
CID 112589848
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-cyclohexyl-2-[2-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847125
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847650
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol (CID 114496972) is 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol is CCNCC1CCCCN1CC(O)(CC)CC.
What is the InChIKey of 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol?
The InChIKey is NOWUINKWXYWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(17,5-2)12-16-10-8-7-9-13(16)11-15-6-3/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol?
3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 114496972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).