1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol

C18H31N3O — CID 70750051

IUPAC1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C18H31N3O/c1-14(2)11-17(22)16-7-9-21(10-8-16)13-15-5-6-18(19-12-15)20(3)4/h5-6,12,14,16-17,22H,7-11,13H2,1-4H3
InChIKeyPQVGSDQLQDSVMJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.77
Rot. Bonds6

About 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol

1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 70750051) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID70750051
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C18H31N3O/c1-14(2)11-17(22)16-7-9-21(10-8-16)13-15-5-6-18(19-12-15)20(3)4/h5-6,12,14,16-17,22H,7-11,13H2,1-4H3
InChIKeyPQVGSDQLQDSVMJ-UHFFFAOYSA-N
XLogP2.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol (CID 70750051) is 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)C1CCN(Cc2ccc(N(C)C)nc2)CC1.
What is the InChIKey of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is PQVGSDQLQDSVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(2)11-17(22)16-7-9-21(10-8-16)13-15-5-6-18(19-12-15)20(3)4/h5-6,12,14,16-17,22H,7-11,13H2,1-4H3.
What are the key properties of 1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 305.47 g/mol, XLogP of 2.77, 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]-3-methylbutan-1-ol is sourced from PubChem (CID 70750051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).