4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol

C16H26N2O — CID 63595309

IUPAC4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C16H26N2O/c1-3-16(14-4-6-15(19)7-5-14)18-10-8-13(9-11-18)12(2)17/h4-7,12-13,16,19H,3,8-11,17H2,1-2H3
InChIKeyBFKMLCOMTYRSFB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds4

About 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol

4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol (PubChem CID 63595309) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
PubChem CID63595309
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C16H26N2O/c1-3-16(14-4-6-15(19)7-5-14)18-10-8-13(9-11-18)12(2)17/h4-7,12-13,16,19H,3,8-11,17H2,1-2H3
InChIKeyBFKMLCOMTYRSFB-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
4-[1-(4-butan-2-ylpiperazin-1-yl)propyl]phenol
CID 82979976
4-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244836
4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
CID 82966219
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
CID 82983105
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238847

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol (CID 63595309) is 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol is CCC(c1ccc(O)cc1)N1CCC(C(C)N)CC1.
What is the InChIKey of 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The InChIKey is BFKMLCOMTYRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(14-4-6-15(19)7-5-14)18-10-8-13(9-11-18)12(2)17/h4-7,12-13,16,19H,3,8-11,17H2,1-2H3.
What are the key properties of 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 63595309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).