2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol

C11H24N2O — CID 83908354

IUPAC2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
SMILESCC(C)N1CCC(CN)(CCO)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-6-3-11(9-12,4-7-13)5-8-14/h10,14H,3-9,12H2,1-2H3
InChIKeyROESPMGQAURGNH-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol

2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol (PubChem CID 83908354) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
PubChem CID83908354
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol
SMILESCC(C)N1CCC(CN)(CCO)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-6-3-11(9-12,4-7-13)5-8-14/h10,14H,3-9,12H2,1-2H3
InChIKeyROESPMGQAURGNH-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
N-[[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]methyl]-3,3-dimethyl-2-oxobutanamide
CID 118460195
[4-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 58547558
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
2-[4-(ethylamino)-1-propan-2-ylazepan-4-yl]ethanol
CID 65235226
3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 167340283
2-[1,4-bis(aminomethyl)cyclohexyl]ethanol
CID 86735230
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
4-(1-aminobutan-2-yl)-1-propan-2-ylpiperidin-4-ol
CID 79135293
[1-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)piperidin-4-yl]methanol
CID 176725141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol (CID 83908354) is 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol is CC(C)N1CCC(CN)(CCO)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol?
The InChIKey is ROESPMGQAURGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)13-6-3-11(9-12,4-7-13)5-8-14/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol?
2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]ethanol is sourced from PubChem (CID 83908354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).