pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol

C16H21N3O — CID 53193324

IUPACpyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C16H21N3O/c20-16(15-5-1-2-8-18-15)13-6-10-19(11-7-13)12-14-4-3-9-17-14/h1-5,8-9,13,16-17,20H,6-7,10-12H2
InChIKeyZRADGXFMAFBNGX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds4

About pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 53193324) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID53193324
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Namepyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C16H21N3O/c20-16(15-5-1-2-8-18-15)13-6-10-19(11-7-13)12-14-4-3-9-17-14/h1-5,8-9,13,16-17,20H,6-7,10-12H2
InChIKeyZRADGXFMAFBNGX-UHFFFAOYSA-N
XLogP2.36
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol (CID 53193324) is pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(Cc2ccc[nH]2)CC1.
What is the InChIKey of pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is ZRADGXFMAFBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(15-5-1-2-8-18-15)13-6-10-19(11-7-13)12-14-4-3-9-17-14/h1-5,8-9,13,16-17,20H,6-7,10-12H2.
What are the key properties of pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 53193324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).