1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol

C21H29N3O — CID 56909726

IUPAC1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESCN(C)c1ccc(CN2CCC(C(O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H29N3O/c1-23(2)21-9-8-18(15-22-21)16-24-12-10-19(11-13-24)20(25)14-17-6-4-3-5-7-17/h3-9,15,19-20,25H,10-14,16H2,1-2H3
InChIKeyYAAQOFCDTLSQAE-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.96
Rot. Bonds6

About 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol

1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol (PubChem CID 56909726) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol
PubChem CID56909726
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol
SMILESCN(C)c1ccc(CN2CCC(C(O)Cc3ccccc3)CC2)cn1
InChIInChI=1S/C21H29N3O/c1-23(2)21-9-8-18(15-22-21)16-24-12-10-19(11-13-24)20(25)14-17-6-4-3-5-7-17/h3-9,15,19-20,25H,10-14,16H2,1-2H3
InChIKeyYAAQOFCDTLSQAE-UHFFFAOYSA-N
XLogP2.96
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 168678999
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CID 168679000
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CID 10221435
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CID 10774127
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CID 10827876
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CID 11849179
CID 11849179

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol (CID 56909726) is 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol is CN(C)c1ccc(CN2CCC(C(O)Cc3ccccc3)CC2)cn1.
What is the InChIKey of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is YAAQOFCDTLSQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-23(2)21-9-8-18(15-22-21)16-24-12-10-19(11-13-24)20(25)14-17-6-4-3-5-7-17/h3-9,15,19-20,25H,10-14,16H2,1-2H3.
What are the key properties of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol?
1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 339.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 56909726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).