4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C19H33N5O — CID 133419124

IUPAC4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(OCC3CCCC3)CC2)n1
InChIInChI=1S/C19H33N5O/c1-14(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16(10-12-24)25-13-15-7-5-6-8-15/h14-16H,5-13H2,1-4H3
InChIKeyXGIPSJDHMPOGEB-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.24
Rot. Bonds6

About 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133419124) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133419124
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC(OCC3CCCC3)CC2)n1
InChIInChI=1S/C19H33N5O/c1-14(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16(10-12-24)25-13-15-7-5-6-8-15/h14-16H,5-13H2,1-4H3
InChIKeyXGIPSJDHMPOGEB-UHFFFAOYSA-N
XLogP3.24
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133419124) is 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCC(OCC3CCCC3)CC2)n1.
What is the InChIKey of 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XGIPSJDHMPOGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-14(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16(10-12-24)25-13-15-7-5-6-8-15/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 347.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylmethoxy)piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133419124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).