1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine

C16H28N4 — CID 95861049

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
SMILESCc1[nH]cnc1CN1CCC([C@H](C)N2CCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-16(18-12-17-13)11-19-9-5-15(6-10-19)14(2)20-7-3-4-8-20/h12,14-15H,3-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIWEGWBOIUQHOGW-AWEZNQCLSA-N
MW276.43 g/mol
LogP2.41
Rot. Bonds4

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine (PubChem CID 95861049) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
PubChem CID95861049
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine
SMILESCc1[nH]cnc1CN1CCC([C@H](C)N2CCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13-16(18-12-17-13)11-19-9-5-15(6-10-19)14(2)20-7-3-4-8-20/h12,14-15H,3-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIWEGWBOIUQHOGW-AWEZNQCLSA-N
XLogP2.41
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 70737667
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70721798
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
CID 91832687
1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72881596
1-ethyl-4-(1-piperidin-1-ylethyl)piperidine
CID 176562548
2-methyl-3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95862606
[(3S)-1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95229566
2-methyl-6-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 127246127
1-[[4-methyl-5-[(3S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95861036
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine (CID 95861049) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine is Cc1[nH]cnc1CN1CCC([C@H](C)N2CCCC2)CC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine?
The InChIKey is IWEGWBOIUQHOGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-16(18-12-17-13)11-19-9-5-15(6-10-19)14(2)20-7-3-4-8-20/h12,14-15H,3-11H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[(1S)-1-pyrrolidin-1-ylethyl]piperidine is sourced from PubChem (CID 95861049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).