[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone

C11H15N3O2 — CID 71063622

IUPAC[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CO)CC1
InChIInChI=1S/C11H15N3O2/c15-9-13-4-6-14(7-5-13)11(16)10-2-1-3-12-8-10/h1-3,8,15H,4-7,9H2
InChIKeyRBCCNZJBGJXBAP-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.21
Rot. Bonds2

About [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 71063622) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID71063622
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CO)CC1
InChIInChI=1S/C11H15N3O2/c15-9-13-4-6-14(7-5-13)11(16)10-2-1-3-12-8-10/h1-3,8,15H,4-7,9H2
InChIKeyRBCCNZJBGJXBAP-UHFFFAOYSA-N
XLogP-0.21
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 780116
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 71063622) is [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RBCCNZJBGJXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-9-13-4-6-14(7-5-13)11(16)10-2-1-3-12-8-10/h1-3,8,15H,4-7,9H2.
What are the key properties of [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71063622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).