(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine

C18H27FN2O — CID 120853525

IUPAC(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine
SMILESFc1ccccc1CO[C@H]1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C18H27FN2O/c19-18-6-2-1-4-16(18)14-22-17-5-3-11-21(13-17)12-15-7-9-20-10-8-15/h1-2,4,6,15,17,20H,3,5,7-14H2/t17-/m0/s1
InChIKeyHISJXRYYEAGECP-KRWDZBQOSA-N
MW306.42 g/mol
LogP2.81
Rot. Bonds5

About (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine

(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 120853525) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine
PubChem CID120853525
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine
SMILESFc1ccccc1CO[C@H]1CCCN(CC2CCNCC2)C1
InChIInChI=1S/C18H27FN2O/c19-18-6-2-1-4-16(18)14-22-17-5-3-11-21(13-17)12-15-7-9-20-10-8-15/h1-2,4,6,15,17,20H,3,5,7-14H2/t17-/m0/s1
InChIKeyHISJXRYYEAGECP-KRWDZBQOSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 120852346
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine (CID 120853525) is (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine is Fc1ccccc1CO[C@H]1CCCN(CC2CCNCC2)C1.
What is the InChIKey of (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is HISJXRYYEAGECP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27FN2O/c19-18-6-2-1-4-16(18)14-22-17-5-3-11-21(13-17)12-15-7-9-20-10-8-15/h1-2,4,6,15,17,20H,3,5,7-14H2/t17-/m0/s1.
What are the key properties of (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine?
(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 306.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 120853525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).