1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine

C18H22FN3 — CID 21193065

IUPAC1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22FN3/c19-15-6-7-18(17(20)12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2
InChIKeyZSNIOIIGCWMPKZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.48
Rot. Bonds4

About 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine

1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine (PubChem CID 21193065) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
PubChem CID21193065
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22FN3/c19-15-6-7-18(17(20)12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2
InChIKeyZSNIOIIGCWMPKZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.48
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-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
2-[(1-benzylpiperidin-4-yl)amino]-4-bromo-6-fluorobenzamide
CID 133423368
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine (CID 21193065) is 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine is Nc1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine?
The InChIKey is ZSNIOIIGCWMPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c19-15-6-7-18(17(20)12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2.
What are the key properties of 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine?
1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine has a molecular weight of 299.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 21193065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).