1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine

C20H31FN4O — CID 139798430

IUPAC1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O/c1-23-20(22)24-12-4-2-3-5-13-25-14-10-17(11-15-25)19(26)16-6-8-18(21)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H3,22,23,24)
InChIKeyIOGORZFTZVCXGG-UHFFFAOYSA-N
MW362.49 g/mol
LogP2.81
Rot. Bonds9

About 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine

1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine (PubChem CID 139798430) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine
PubChem CID139798430
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine
SMILESC/N=C(\N)NCCCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN4O/c1-23-20(22)24-12-4-2-3-5-13-25-14-10-17(11-15-25)19(26)16-6-8-18(21)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H3,22,23,24)
InChIKeyIOGORZFTZVCXGG-UHFFFAOYSA-N
XLogP2.81
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 67902678
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
2,4,5-trifluoro-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-methoxy-3-methylbenzamide
CID 88655694
CID 174952895
CID 174952895
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-[4-[(4E)-4-hydroxyimino-2-methyl-3H-pyrrolo[2,3-e]thiazin-5-yl]butyl]piperidin-4-yl]methanone
CID 139804324

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine?
The IUPAC name of 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine (CID 139798430) is 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine.
What is the SMILES notation for 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine?
The canonical SMILES for 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine is C/N=C(\N)NCCCCCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine?
The InChIKey is IOGORZFTZVCXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-23-20(22)24-12-4-2-3-5-13-25-14-10-17(11-15-25)19(26)16-6-8-18(21)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H3,22,23,24).
What are the key properties of 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine?
1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine has a molecular weight of 362.49 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]hexyl]-2-methylguanidine is sourced from PubChem (CID 139798430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).