1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol

C16H27N3O — CID 70749084

IUPAC1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)10-15(20)13-5-8-19(9-6-13)11-14-4-3-7-18-16(14)17/h3-4,7,12-13,15,20H,5-6,8-11H2,1-2H3,(H2,17,18)
InChIKeyOIWNRZQJPLRGHF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.28
Rot. Bonds5

About 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol

1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 70749084) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID70749084
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)10-15(20)13-5-8-19(9-6-13)11-14-4-3-7-18-16(14)17/h3-4,7,12-13,15,20H,5-6,8-11H2,1-2H3,(H2,17,18)
InChIKeyOIWNRZQJPLRGHF-UHFFFAOYSA-N
XLogP2.28
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol (CID 70749084) is 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)C1CCN(Cc2cccnc2N)CC1.
What is the InChIKey of 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is OIWNRZQJPLRGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)10-15(20)13-5-8-19(9-6-13)11-14-4-3-7-18-16(14)17/h3-4,7,12-13,15,20H,5-6,8-11H2,1-2H3,(H2,17,18).
What are the key properties of 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-amino-3-pyridinyl)methyl]piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 70749084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).