1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine

C19H31N3O2 — CID 175944988

IUPAC1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESCOCCOc1ccc(N2CCN(CC3CCCNC3)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-23-13-14-24-19-6-4-18(5-7-19)22-11-9-21(10-12-22)16-17-3-2-8-20-15-17/h4-7,17,20H,2-3,8-16H2,1H3
InChIKeyDNWFNUKOXSVHOQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.83
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine

1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 175944988) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
PubChem CID175944988
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine
SMILESCOCCOc1ccc(N2CCN(CC3CCCNC3)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-23-13-14-24-19-6-4-18(5-7-19)22-11-9-21(10-12-22)16-17-3-2-8-20-15-17/h4-7,17,20H,2-3,8-16H2,1H3
InChIKeyDNWFNUKOXSVHOQ-UHFFFAOYSA-N
XLogP1.83
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
CID 71214484
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
CID 23540146
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
phenyl-[4-[4-[[(3S)-piperidin-3-yl]methoxy]phenyl]piperazin-1-yl]methanone
CID 68700958
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
1-(4-fluorophenyl)-4-(2-piperidin-3-ylethyl)piperazine
CID 62356339
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine (CID 175944988) is 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine is COCCOc1ccc(N2CCN(CC3CCCNC3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is DNWFNUKOXSVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-23-13-14-24-19-6-4-18(5-7-19)22-11-9-21(10-12-22)16-17-3-2-8-20-15-17/h4-7,17,20H,2-3,8-16H2,1H3.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine?
1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 333.48 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 175944988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).