1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol

C13H20N2O — CID 114677986

IUPAC1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccccc2N)CCC1O
InChIInChI=1S/C13H20N2O/c1-10-8-15(7-6-13(10)16)9-11-4-2-3-5-12(11)14/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyKATASHNLCSPHSK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds2

About 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol

1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114677986) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114677986
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccccc2N)CCC1O
InChIInChI=1S/C13H20N2O/c1-10-8-15(7-6-13(10)16)9-11-4-2-3-5-12(11)14/h2-5,10,13,16H,6-9,14H2,1H3
InChIKeyKATASHNLCSPHSK-UHFFFAOYSA-N
XLogP1.47
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
2-[(3-chloropyrrolidin-1-yl)methyl]aniline
CID 130150251
1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114681766
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]aniline
CID 124746618
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114678032
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 114683794
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol (CID 114677986) is 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2ccccc2N)CCC1O.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is KATASHNLCSPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-15(7-6-13(10)16)9-11-4-2-3-5-12(11)14/h2-5,10,13,16H,6-9,14H2,1H3.
What are the key properties of 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol?
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).