2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid

C21H26N2O2 — CID 54302774

IUPAC2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid
SMILESNCc1ccc(-c2ccc(CN3CCC(CC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c22-14-17-1-5-19(6-2-17)20-7-3-18(4-8-20)15-23-11-9-16(10-12-23)13-21(24)25/h1-8,16H,9-15,22H2,(H,24,25)
InChIKeySFKDMHORHUJOSF-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds6

About 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid

2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid (PubChem CID 54302774) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid
PubChem CID54302774
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid
SMILESNCc1ccc(-c2ccc(CN3CCC(CC(=O)O)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c22-14-17-1-5-19(6-2-17)20-7-3-18(4-8-20)15-23-11-9-16(10-12-23)13-21(24)25/h1-8,16H,9-15,22H2,(H,24,25)
InChIKeySFKDMHORHUJOSF-UHFFFAOYSA-N
XLogP3.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986245
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
2-[(4S)-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 129488958
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
CID 19419554
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
2-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]acetic acid
CID 79605634
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid (CID 54302774) is 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid is NCc1ccc(-c2ccc(CN3CCC(CC(=O)O)CC3)cc2)cc1.
What is the InChIKey of 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is SFKDMHORHUJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-14-17-1-5-19(6-2-17)20-7-3-18(4-8-20)15-23-11-9-16(10-12-23)13-21(24)25/h1-8,16H,9-15,22H2,(H,24,25).
What are the key properties of 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid?
2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 338.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 54302774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).