1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone

C23H30N2O2 — CID 91792475

IUPAC1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C23H30N2O2/c26-18-23(17-24-11-3-4-12-24)9-13-25(14-10-23)22(27)16-19-7-8-20-5-1-2-6-21(20)15-19/h1-2,5-8,15,26H,3-4,9-14,16-18H2
InChIKeyKLCAOGMDOMJHAQ-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.08
Rot. Bonds5

About 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone

1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 91792475) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
PubChem CID91792475
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C23H30N2O2/c26-18-23(17-24-11-3-4-12-24)9-13-25(14-10-23)22(27)16-19-7-8-20-5-1-2-6-21(20)15-19/h1-2,5-8,15,26H,3-4,9-14,16-18H2
InChIKeyKLCAOGMDOMJHAQ-UHFFFAOYSA-N
XLogP3.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125025689
1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 91778733
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 124983809
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone (CID 91792475) is 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is KLCAOGMDOMJHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-18-23(17-24-11-3-4-12-24)9-13-25(14-10-23)22(27)16-19-7-8-20-5-1-2-6-21(20)15-19/h1-2,5-8,15,26H,3-4,9-14,16-18H2.
What are the key properties of 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone?
1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 366.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 91792475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).