N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine

C21H29FN4 — CID 139801540

IUPACN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1NCCN1CCC(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C21H29FN4/c1-25-21(19-4-2-3-5-20(19)24-25)23-12-15-26-13-10-17(11-14-26)16-6-8-18(22)9-7-16/h6-9,17,23H,2-5,10-15H2,1H3
InChIKeyXSCCQBDIXODUIL-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.73
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine

N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 139801540) has the molecular formula C21H29FN4 and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID139801540
Molecular FormulaC21H29FN4
Molecular Weight356.49 g/mol
Exact Mass356.24
IUPAC NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc2c(c1NCCN1CCC(c3ccc(F)cc3)CC1)CCCC2
InChIInChI=1S/C21H29FN4/c1-25-21(19-4-2-3-5-20(19)24-25)23-12-15-26-13-10-17(11-14-26)16-6-8-18(22)9-7-16/h6-9,17,23H,2-5,10-15H2,1H3
InChIKeyXSCCQBDIXODUIL-UHFFFAOYSA-N
XLogP3.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 139801544
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 139801667
N-butyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 57332759
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 138517632
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800751
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397
[4-[1-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]piperidin-4-yl]phenyl]methanol
CID 166370106
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
CID 62575931
1-[(4-tert-butylpyrrolidin-3-yl)methyl]-4-(4-fluorophenyl)piperidine
CID 18335090

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine (CID 139801540) is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine is Cn1nc2c(c1NCCN1CCC(c3ccc(F)cc3)CC1)CCCC2.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is XSCCQBDIXODUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4/c1-25-21(19-4-2-3-5-20(19)24-25)23-12-15-26-13-10-17(11-14-26)16-6-8-18(22)9-7-16/h6-9,17,23H,2-5,10-15H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine?
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 356.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-methyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 139801540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).