4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine

C19H33ClN4O — CID 70752341

IUPAC4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCCCCc1nc(Cl)c(CN2CCC(C(C)N3CCOCC3)CC2)[nH]1
InChIInChI=1S/C19H33ClN4O/c1-3-4-5-18-21-17(19(20)22-18)14-23-8-6-16(7-9-23)15(2)24-10-12-25-13-11-24/h15-16H,3-14H2,1-2H3,(H,21,22)
InChIKeyHQDOWUUMKINNQR-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.34
Rot. Bonds7

About 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70752341) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70752341
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC Name4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCCCCc1nc(Cl)c(CN2CCC(C(C)N3CCOCC3)CC2)[nH]1
InChIInChI=1S/C19H33ClN4O/c1-3-4-5-18-21-17(19(20)22-18)14-23-8-6-16(7-9-23)15(2)24-10-12-25-13-11-24/h15-16H,3-14H2,1-2H3,(H,21,22)
InChIKeyHQDOWUUMKINNQR-UHFFFAOYSA-N
XLogP3.34
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 99929827
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
CID 10404561
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 56874821
(1S,9S)-11-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118792438
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56701527
4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70705816
(4aS,8aR)-6-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70715361
(3aS,6aS)-5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70780165
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56908339

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70752341) is 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine is CCCCc1nc(Cl)c(CN2CCC(C(C)N3CCOCC3)CC2)[nH]1.
What is the InChIKey of 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is HQDOWUUMKINNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33ClN4O/c1-3-4-5-18-21-17(19(20)22-18)14-23-8-6-16(7-9-23)15(2)24-10-12-25-13-11-24/h15-16H,3-14H2,1-2H3,(H,21,22).
What are the key properties of 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 368.95 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70752341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).