4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol

C16H26N2O — CID 115496098

IUPAC4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
SMILESCC1CCC(CN)CN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-12-3-4-15(10-17)11-18(12)13(2)9-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3
InChIKeyIIZFUUBSOWEFTE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.38
Rot. Bonds4

About 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol

4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol (PubChem CID 115496098) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
PubChem CID115496098
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
SMILESCC1CCC(CN)CN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-12-3-4-15(10-17)11-18(12)13(2)9-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3
InChIKeyIIZFUUBSOWEFTE-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dimethylmorpholin-4-yl)propyl]phenol
CID 82977941
[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine
CID 79007971
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496086
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
[6-methyl-1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 106758670
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
4-[2-(2-ethylazepan-1-yl)propyl]phenol
CID 104693189
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol (CID 115496098) is 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol is CC1CCC(CN)CN1C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol?
The InChIKey is IIZFUUBSOWEFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-3-4-15(10-17)11-18(12)13(2)9-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3.
What are the key properties of 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol?
4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol is sourced from PubChem (CID 115496098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).