[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

C18H29Cl2N3O2 — CID 119832969

IUPAC[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCCN1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-8-4-5-9-19-17)21-12-10-20(11-13-21)14-15-23-16-6-2-1-3-7-16;;/h1-3,6-7,17,19H,4-5,8-15H2;2*1H
InChIKeyKDWFKXXGVQVKPC-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.20
Rot. Bonds5

About [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (PubChem CID 119832969) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
PubChem CID119832969
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCCN1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-8-4-5-9-19-17)21-12-10-20(11-13-21)14-15-23-16-6-2-1-3-7-16;;/h1-3,6-7,17,19H,4-5,8-15H2;2*1H
InChIKeyKDWFKXXGVQVKPC-UHFFFAOYSA-N
XLogP2.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119839347
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (CID 119832969) is [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CCCCN1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The InChIKey is KDWFKXXGVQVKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c22-18(17-8-4-5-9-19-17)21-12-10-20(11-13-21)14-15-23-16-6-2-1-3-7-16;;/h1-3,6-7,17,19H,4-5,8-15H2;2*1H.
What are the key properties of [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119832969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).