[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone

C30H30N2O2 — CID 10527563

IUPAC[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H30N2O2/c33-30(28-16-15-24-9-7-8-14-27(24)23-28)32-19-17-31(18-20-32)21-22-34-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-16,23,29H,17-22H2
InChIKeyYRVQVXRLMWYGFQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.40
Rot. Bonds7

About [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 10527563) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID10527563
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H30N2O2/c33-30(28-16-15-24-9-7-8-14-27(24)23-28)32-19-17-31(18-20-32)21-22-34-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-16,23,29H,17-22H2
InChIKeyYRVQVXRLMWYGFQ-UHFFFAOYSA-N
XLogP5.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 60728604
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17108671
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[1-(2-benzhydryloxyethyl)piperidin-4-ylidene]acetic acid
CID 67946514
1-[4-(2-benzhydryloxyethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 10551204
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
CID 24825327

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 10527563) is [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is YRVQVXRLMWYGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c33-30(28-16-15-24-9-7-8-14-27(24)23-28)32-19-17-31(18-20-32)21-22-34-29(25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-16,23,29H,17-22H2.
What are the key properties of [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 450.58 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 10527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).