N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine

C22H34FN3 — CID 137428321

IUPACN-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine
SMILESFC1(CNC2CC2)CCN(CC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H34FN3/c23-22(18-24-21-6-7-21)10-14-26(15-11-22)17-20-8-12-25(13-9-20)16-19-4-2-1-3-5-19/h1-5,20-21,24H,6-18H2
InChIKeySHSMLZYEUVLXHR-UHFFFAOYSA-N
MW359.53 g/mol
LogP3.45
Rot. Bonds7

About N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine

N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine (PubChem CID 137428321) has the molecular formula C22H34FN3 and a molecular weight of 359.53 g/mol. Its IUPAC name is N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine
PubChem CID137428321
Molecular FormulaC22H34FN3
Molecular Weight359.53 g/mol
Exact Mass359.27
IUPAC NameN-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine
SMILESFC1(CNC2CC2)CCN(CC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H34FN3/c23-22(18-24-21-6-7-21)10-14-26(15-11-22)17-20-8-12-25(13-9-20)16-19-4-2-1-3-5-19/h1-5,20-21,24H,6-18H2
InChIKeySHSMLZYEUVLXHR-UHFFFAOYSA-N
XLogP3.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine (CID 137428321) is N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine is FC1(CNC2CC2)CCN(CC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is SHSMLZYEUVLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3/c23-22(18-24-21-6-7-21)10-14-26(15-11-22)17-20-8-12-25(13-9-20)16-19-4-2-1-3-5-19/h1-5,20-21,24H,6-18H2.
What are the key properties of N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine?
N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 359.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-benzylpiperidin-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 137428321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).