(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine

C18H26FN5 — CID 95719167

IUPAC(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine
SMILESCc1nnnn1CCCN1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H26FN5/c1-15-20-21-22-24(15)13-5-12-23-11-4-6-16(14-23)9-10-17-7-2-3-8-18(17)19/h2-3,7-8,16H,4-6,9-14H2,1H3/t16-/m0/s1
InChIKeyNVKDEPQCVAAZNF-INIZCTEOSA-N
MW331.44 g/mol
LogP2.86
Rot. Bonds7

About (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine

(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine (PubChem CID 95719167) has the molecular formula C18H26FN5 and a molecular weight of 331.44 g/mol. Its IUPAC name is (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine
PubChem CID95719167
Molecular FormulaC18H26FN5
Molecular Weight331.44 g/mol
Exact Mass331.22
IUPAC Name(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine
SMILESCc1nnnn1CCCN1CCC[C@@H](CCc2ccccc2F)C1
InChIInChI=1S/C18H26FN5/c1-15-20-21-22-24(15)13-5-12-23-11-4-6-16(14-23)9-10-17-7-2-3-8-18(17)19/h2-3,7-8,16H,4-6,9-14H2,1H3/t16-/m0/s1
InChIKeyNVKDEPQCVAAZNF-INIZCTEOSA-N
XLogP2.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-[3-(tetrazol-1-yl)propyl]piperidine
CID 95713505
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95455929
(3S)-3-[2-(2-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 26393154
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
4-[2-(2-fluorophenyl)ethyl]-1-pentylpiperidine;hydrobromide
CID 67838993
3-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56894307
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine?
The IUPAC name of (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine (CID 95719167) is (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine.
What is the SMILES notation for (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine?
The canonical SMILES for (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine is Cc1nnnn1CCCN1CCC[C@@H](CCc2ccccc2F)C1.
What is the InChIKey of (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine?
The InChIKey is NVKDEPQCVAAZNF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN5/c1-15-20-21-22-24(15)13-5-12-23-11-4-6-16(14-23)9-10-17-7-2-3-8-18(17)19/h2-3,7-8,16H,4-6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine?
(3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine has a molecular weight of 331.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2-fluorophenyl)ethyl]-1-[3-(5-methyltetrazol-1-yl)propyl]piperidine is sourced from PubChem (CID 95719167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).