benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate

C19H23N3O2 — CID 10268204

IUPACbenzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21)
InChIKeyBKWXCVZIALOBBS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.54
Rot. Bonds5

About benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate

benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 10268204) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID10268204
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namebenzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21)
InChIKeyBKWXCVZIALOBBS-UHFFFAOYSA-N
XLogP3.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate (CID 10268204) is benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1.
What is the InChIKey of benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is BKWXCVZIALOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(24-15-17-6-2-1-3-7-17)22-12-9-16(10-13-22)14-21-18-8-4-5-11-20-18/h1-8,11,16H,9-10,12-15H2,(H,20,21).
What are the key properties of benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate?
benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10268204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).