4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol

C9H20N2O — CID 83846266

IUPAC4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(CN)C(O)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-4-3-8(5-10)9(12)6-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyXEWSXKMWSFBEIS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds2

About 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol

4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol (PubChem CID 83846266) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
PubChem CID83846266
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(CN)C(O)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-4-3-8(5-10)9(12)6-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyXEWSXKMWSFBEIS-UHFFFAOYSA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
4-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 130204198
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 167226625
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
1-propan-2-ylpiperidine-3,4-diol;1H-pyrrol-3-amine
CID 171557340
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol (CID 83846266) is 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol is CC(C)N1CCC(CN)C(O)C1.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol?
The InChIKey is XEWSXKMWSFBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-4-3-8(5-10)9(12)6-11/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol?
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 83846266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).