1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine

C20H25FN2 — CID 6938115

IUPAC1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2/c1-16(18-7-9-19(21)10-8-18)22-20-11-13-23(14-12-20)15-17-5-3-2-4-6-17/h2-10,16,20,22H,11-15H2,1H3/t16-/m0/s1
InChIKeyIHTGWHKQERQFGX-INIZCTEOSA-N
MW312.43 g/mol
LogP4.14
Rot. Bonds5

About 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine

1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 6938115) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID6938115
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESC[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2/c1-16(18-7-9-19(21)10-8-18)22-20-11-13-23(14-12-20)15-17-5-3-2-4-6-17/h2-10,16,20,22H,11-15H2,1H3/t16-/m0/s1
InChIKeyIHTGWHKQERQFGX-INIZCTEOSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
CID 113223845
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 6938115) is 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine is C[C@H](NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is IHTGWHKQERQFGX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25FN2/c1-16(18-7-9-19(21)10-8-18)22-20-11-13-23(14-12-20)15-17-5-3-2-4-6-17/h2-10,16,20,22H,11-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine?
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 312.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 6938115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).