2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine

C20H27N3 — CID 95869234

IUPAC2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCCC[C@H]2CCc2ccccc2)cn1
InChIInChI=1S/C20H27N3/c1-2-20-21-14-18(15-22-20)16-23-13-7-6-10-19(23)12-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,19H,2,6-7,10-13,16H2,1H3/t19-/m0/s1
InChIKeyRQWBMCOQEHIQOU-IBGZPJMESA-N
MW309.46 g/mol
LogP4.03
Rot. Bonds6

About 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine

2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 95869234) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID95869234
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCCC[C@H]2CCc2ccccc2)cn1
InChIInChI=1S/C20H27N3/c1-2-20-21-14-18(15-22-20)16-23-13-7-6-10-19(23)12-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,19H,2,6-7,10-13,16H2,1H3/t19-/m0/s1
InChIKeyRQWBMCOQEHIQOU-IBGZPJMESA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[2-[(2R)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 164641718
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 56893944
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine (CID 95869234) is 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine is CCc1ncc(CN2CCCC[C@H]2CCc2ccccc2)cn1.
What is the InChIKey of 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is RQWBMCOQEHIQOU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3/c1-2-20-21-14-18(15-22-20)16-23-13-7-6-10-19(23)12-11-17-8-4-3-5-9-17/h3-5,8-9,14-15,19H,2,6-7,10-13,16H2,1H3/t19-/m0/s1.
What are the key properties of 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine?
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 309.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95869234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).