4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane

C17H28N4 — CID 133323337

IUPAC4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
SMILESCC1(C)CCCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C17H28N4/c1-17(2)7-6-11-21(12-8-17)16-13-15(18-14-19-16)20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3
InChIKeyUNLPVRMQDSEJCY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.48
Rot. Bonds2

About 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane

4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane (PubChem CID 133323337) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane.

Molecular Properties

Compound Name4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
PubChem CID133323337
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
SMILESCC1(C)CCCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C17H28N4/c1-17(2)7-6-11-21(12-8-17)16-13-15(18-14-19-16)20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3
InChIKeyUNLPVRMQDSEJCY-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoropyrimidin-4-yl)-4,4-dimethylazepane
CID 115417100
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
1-(5-bromo-4-methyl-2-pyridinyl)-4,4-dimethylazepane
CID 114870455
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
CID 91644181
3-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463815
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
CID 79033929
4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
CID 65283622

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The IUPAC name of 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane (CID 133323337) is 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane.
What is the SMILES notation for 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The canonical SMILES for 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane is CC1(C)CCCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The InChIKey is UNLPVRMQDSEJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2)7-6-11-21(12-8-17)16-13-15(18-14-19-16)20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane has a molecular weight of 288.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane is sourced from PubChem (CID 133323337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).