CID 140622443

C17H26FN2 — CID 140622443

IUPAC—
SMILESC[C](C)c1cc(F)cc(CN2CCC(N(C)C)CC2)c1
InChIInChI=1S/C17H26FN2/c1-13(2)15-9-14(10-16(18)11-15)12-20-7-5-17(6-8-20)19(3)4/h9-11,17H,5-8,12H2,1-4H3
InChIKeyPGJYEDOIWODWFW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.31
Rot. Bonds4

About CID 140622443

CID 140622443 (PubChem CID 140622443) has the molecular formula C17H26FN2 and a molecular weight of 277.41 g/mol.

Molecular Properties

Compound NameCID 140622443
PubChem CID140622443
Molecular FormulaC17H26FN2
Molecular Weight277.41 g/mol
Exact Mass277.21
IUPAC Name—
SMILESC[C](C)c1cc(F)cc(CN2CCC(N(C)C)CC2)c1
InChIInChI=1S/C17H26FN2/c1-13(2)15-9-14(10-16(18)11-15)12-20-7-5-17(6-8-20)19(3)4/h9-11,17H,5-8,12H2,1-4H3
InChIKeyPGJYEDOIWODWFW-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 140622443 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 140622433
CID 140622433
CID 140622444
CID 140622444
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
(4S)-1-[(3,5-difluoro-4-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99946945
3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 103495761
1-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 43793182
N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
CID 174748455
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-fluorobenzenecarbothioamide
CID 107879201
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 63068446
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907543

Frequently Asked Questions

What is the IUPAC name of CID 140622443?
The IUPAC name of CID 140622443 (CID 140622443) is not available.
What is the SMILES notation for CID 140622443?
The canonical SMILES for CID 140622443 is C[C](C)c1cc(F)cc(CN2CCC(N(C)C)CC2)c1.
What is the InChIKey of CID 140622443?
The InChIKey is PGJYEDOIWODWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN2/c1-13(2)15-9-14(10-16(18)11-15)12-20-7-5-17(6-8-20)19(3)4/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of CID 140622443?
CID 140622443 has a molecular weight of 277.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140622443 is sourced from PubChem (CID 140622443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).