N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

C16H25FN2 — CID 28679808

IUPACN-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-14-6-10-19(11-7-14)9-3-8-18-13-15-4-2-5-16(17)12-15/h2,4-5,12,14,18H,3,6-11,13H2,1H3
InChIKeyBWTNTNWPWBVPRZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 28679808) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID28679808
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCc2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-14-6-10-19(11-7-14)9-3-8-18-13-15-4-2-5-16(17)12-15/h2,4-5,12,14,18H,3,6-11,13H2,1H3
InChIKeyBWTNTNWPWBVPRZ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 114487249
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 78892593
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 28679808) is N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(CCCNCc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is BWTNTNWPWBVPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-14-6-10-19(11-7-14)9-3-8-18-13-15-4-2-5-16(17)12-15/h2,4-5,12,14,18H,3,6-11,13H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 28679808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).