YPZCBHXKOOTKRW-KRWDZBQOSA-N

Name: YPZCBHXKOOTKRW-KRWDZBQOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₃F₂N₃O₂ — CID 134542442

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(4-methylphenyl)methyl (4S)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate

SMILESCc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1

InChIInChI=1S/C20H23F2N3O2/c1-15-2-4-16(5-3-15)13-27-19(26)25-11-8-17(20(21,22)14-25)12-24-18-6-9-23-10-7-18/h2-7,9-10,17H,8,11-14H2,1H3,(H,23,24)/t17-/m0/s1

InChIKeyYPZCBHXKOOTKRW-KRWDZBQOSA-N

MW375.42 g/mol

LogP4.10

Rot. Bonds5

About YPZCBHXKOOTKRW-KRWDZBQOSA-N

YPZCBHXKOOTKRW-KRWDZBQOSA-N (PubChem CID 134542442) has the molecular formula C₂₀H₂₃F₂N₃O₂ and a molecular weight of 375.42 g/mol. Its IUPAC name is (4-methylphenyl)methyl (4S)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name	YPZCBHXKOOTKRW-KRWDZBQOSA-N
PubChem CID	134542442
Molecular Formula	C₂₀H₂₃F₂N₃O₂
Molecular Weight	375.42 g/mol
Exact Mass	375.18
IUPAC Name	(4-methylphenyl)methyl (4S)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
SMILES	Cc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1
InChI	InChI=1S/C20H23F2N3O2/c1-15-2-4-16(5-3-15)13-27-19(26)25-11-8-17(20(21,22)14-25)12-24-18-6-9-23-10-7-18/h2-7,9-10,17H,8,11-14H2,1H3,(H,23,24)/t17-/m0/s1
InChIKey	YPZCBHXKOOTKRW-KRWDZBQOSA-N
XLogP	4.10
TPSA	54.46 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.42
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of YPZCBHXKOOTKRW-KRWDZBQOSA-N?

The IUPAC name of YPZCBHXKOOTKRW-KRWDZBQOSA-N (CID 134542442) is (4-methylphenyl)methyl (4S)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate.

What is the SMILES notation for YPZCBHXKOOTKRW-KRWDZBQOSA-N?

The canonical SMILES for YPZCBHXKOOTKRW-KRWDZBQOSA-N is Cc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1.

What is the InChIKey of YPZCBHXKOOTKRW-KRWDZBQOSA-N?

The InChIKey is YPZCBHXKOOTKRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-15-2-4-16(5-3-15)13-27-19(26)25-11-8-17(20(21,22)14-25)12-24-18-6-9-23-10-7-18/h2-7,9-10,17H,8,11-14H2,1H3,(H,23,24)/t17-/m0/s1.

What are the key properties of YPZCBHXKOOTKRW-KRWDZBQOSA-N?

YPZCBHXKOOTKRW-KRWDZBQOSA-N has a molecular weight of 375.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YPZCBHXKOOTKRW-KRWDZBQOSA-N is sourced from PubChem (CID 134542442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 134542442 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.