1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine

C23H35N5O — CID 131902682

IUPAC1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
SMILESCOCCn1ccnc1CN1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N5O/c1-29-18-17-28-12-9-24-23(28)20-25-10-7-22(8-11-25)27-15-13-26(14-16-27)19-21-5-3-2-4-6-21/h2-6,9,12,22H,7-8,10-11,13-20H2,1H3
InChIKeyIKYQBVWLELHUNH-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.31
Rot. Bonds8

About 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine

1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine (PubChem CID 131902682) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
PubChem CID131902682
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
SMILESCOCCn1ccnc1CN1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N5O/c1-29-18-17-28-12-9-24-23(28)20-25-10-7-22(8-11-25)27-15-13-26(14-16-27)19-21-5-3-2-4-6-21/h2-6,9,12,22H,7-8,10-11,13-20H2,1H3
InChIKeyIKYQBVWLELHUNH-UHFFFAOYSA-N
XLogP2.31
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635
(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77079767
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
CID 50959319
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine?
The IUPAC name of 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine (CID 131902682) is 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine is COCCn1ccnc1CN1CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine?
The InChIKey is IKYQBVWLELHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-29-18-17-28-12-9-24-23(28)20-25-10-7-22(8-11-25)27-15-13-26(14-16-27)19-21-5-3-2-4-6-21/h2-6,9,12,22H,7-8,10-11,13-20H2,1H3.
What are the key properties of 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine?
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine has a molecular weight of 397.57 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine is sourced from PubChem (CID 131902682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).