N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

C17H30N4S — CID 138042313

IUPACN-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCN(C)CC1CCC(NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C17H30N4S/c1-20(2)13-14-3-5-15(6-4-14)19-16-7-10-21(11-8-16)17-18-9-12-22-17/h9,12,14-16,19H,3-8,10-11,13H2,1-2H3
InChIKeyPGZQQBRUDBDSGZ-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 138042313) has the molecular formula C17H30N4S and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID138042313
Molecular FormulaC17H30N4S
Molecular Weight322.52 g/mol
Exact Mass322.22
IUPAC NameN-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCN(C)CC1CCC(NC2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C17H30N4S/c1-20(2)13-14-3-5-15(6-4-14)19-16-7-10-21(11-8-16)17-18-9-12-22-17/h9,12,14-16,19H,3-8,10-11,13H2,1-2H3
InChIKeyPGZQQBRUDBDSGZ-UHFFFAOYSA-N
XLogP2.82
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 138042313) is N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is CN(C)CC1CCC(NC2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is PGZQQBRUDBDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4S/c1-20(2)13-14-3-5-15(6-4-14)19-16-7-10-21(11-8-16)17-18-9-12-22-17/h9,12,14-16,19H,3-8,10-11,13H2,1-2H3.
What are the key properties of N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 322.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]cyclohexyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 138042313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).