2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine

C21H32FN3 — CID 174925589

IUPAC2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine
SMILESNC1CC1c1ccccc1CC1(F)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C21H32FN3/c22-21(14-17-3-1-2-4-18(17)19-13-20(19)23)7-11-25(12-8-21)15-16-5-9-24-10-6-16/h1-4,16,19-20,24H,5-15,23H2
InChIKeyHBUMOQNSMLIESE-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine

2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine (PubChem CID 174925589) has the molecular formula C21H32FN3 and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine
PubChem CID174925589
Molecular FormulaC21H32FN3
Molecular Weight345.51 g/mol
Exact Mass345.26
IUPAC Name2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine
SMILESNC1CC1c1ccccc1CC1(F)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C21H32FN3/c22-21(14-17-3-1-2-4-18(17)19-13-20(19)23)7-11-25(12-8-21)15-16-5-9-24-10-6-16/h1-4,16,19-20,24H,5-15,23H2
InChIKeyHBUMOQNSMLIESE-UHFFFAOYSA-N
XLogP2.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine with MolForge

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Related Compounds

ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
4-fluoro-4-(2-methoxyphenyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 120858246
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-[[3-(3-chlorophenyl)-3-fluoropyrrolidin-1-yl]methyl]piperidine
CID 120858319
trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
CID 94423440
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
2-[(4-fluoropiperidin-4-yl)methyl]phenol
CID 105462993
4-(2,6-difluorophenyl)-1-(piperidin-4-ylmethyl)piperidine
CID 120851603
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine (CID 174925589) is 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine is NC1CC1c1ccccc1CC1(F)CCN(CC2CCNCC2)CC1.
What is the InChIKey of 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine?
The InChIKey is HBUMOQNSMLIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3/c22-21(14-17-3-1-2-4-18(17)19-13-20(19)23)7-11-25(12-8-21)15-16-5-9-24-10-6-16/h1-4,16,19-20,24H,5-15,23H2.
What are the key properties of 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine?
2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine has a molecular weight of 345.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-fluoro-1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 174925589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).