1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile

C18H21N5 — CID 175651313

IUPAC1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
SMILESCN(C)c1ccnc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5/c1-22(2)16-8-11-20-17(21-16)23-12-9-18(14-19,10-13-23)15-6-4-3-5-7-15/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyNYYUGYHOPZJIII-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile

1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 175651313) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID175651313
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
SMILESCN(C)c1ccnc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5/c1-22(2)16-8-11-20-17(21-16)23-12-9-18(14-19,10-13-23)15-6-4-3-5-7-15/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyNYYUGYHOPZJIII-UHFFFAOYSA-N
XLogP2.60
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile (CID 175651313) is 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile is CN(C)c1ccnc(N2CCC(C#N)(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is NYYUGYHOPZJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-22(2)16-8-11-20-17(21-16)23-12-9-18(14-19,10-13-23)15-6-4-3-5-7-15/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 175651313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).