N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine

C14H25N5O — CID 45245869

IUPACN-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cn(C2CCNCC2)nn1)CC1CCCO1
InChIInChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)9-12-10-19(17-16-12)13-4-6-15-7-5-13/h10,13-15H,2-9,11H2,1H3
InChIKeyPYMJSJONEKIMFI-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine

N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine (PubChem CID 45245869) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
PubChem CID45245869
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine
SMILESCN(Cc1cn(C2CCNCC2)nn1)CC1CCCO1
InChIInChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)9-12-10-19(17-16-12)13-4-6-15-7-5-13/h10,13-15H,2-9,11H2,1H3
InChIKeyPYMJSJONEKIMFI-UHFFFAOYSA-N
XLogP0.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine (CID 45245869) is N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine is CN(Cc1cn(C2CCNCC2)nn1)CC1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
The InChIKey is PYMJSJONEKIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18(11-14-3-2-8-20-14)9-12-10-19(17-16-12)13-4-6-15-7-5-13/h10,13-15H,2-9,11H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine?
N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 45245869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).