morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride

C17H25ClN2O2 — CID 18539099

IUPACmorpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(CC2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H24N2O2.ClH/c20-17(19-9-11-21-12-10-19)16-3-1-14(2-4-16)13-15-5-7-18-8-6-15;/h1-4,15,18H,5-13H2;1H
InChIKeyAHQCKVMVRQBVIB-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.12
Rot. Bonds3

About morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride

morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride (PubChem CID 18539099) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
PubChem CID18539099
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Namemorpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(CC2CCNCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H24N2O2.ClH/c20-17(19-9-11-21-12-10-19)16-3-1-14(2-4-16)13-15-5-7-18-8-6-15;/h1-4,15,18H,5-13H2;1H
InChIKeyAHQCKVMVRQBVIB-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960379
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166613267
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966760
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-iodobenzoic acid;(4-iodophenyl)-morpholin-4-ylmethanone;morpholine
CID 162077831

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride?
The IUPAC name of morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride (CID 18539099) is morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(CC2CCNCC2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride?
The InChIKey is AHQCKVMVRQBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c20-17(19-9-11-21-12-10-19)16-3-1-14(2-4-16)13-15-5-7-18-8-6-15;/h1-4,15,18H,5-13H2;1H.
What are the key properties of morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride?
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 18539099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).