N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine

C15H21N3O — CID 115209662

IUPACN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
SMILESCc1nc2cc(CNCC3CCCNC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11-18-14-7-12(4-5-15(14)19-11)8-17-10-13-3-2-6-16-9-13/h4-5,7,13,16-17H,2-3,6,8-10H2,1H3
InChIKeyPFZBOKNYOGTCQH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds4

About N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine

N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 115209662) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID115209662
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
SMILESCc1nc2cc(CNCC3CCCNC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11-18-14-7-12(4-5-15(14)19-11)8-17-10-13-3-2-6-16-9-13/h4-5,7,13,16-17H,2-3,6,8-10H2,1H3
InChIKeyPFZBOKNYOGTCQH-UHFFFAOYSA-N
XLogP2.23
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
2-tert-butyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 117434079
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
CID 115237653
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
3-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 115200643
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
CID 84695591
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine (CID 115209662) is N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine is Cc1nc2cc(CNCC3CCCNC3)ccc2o1.
What is the InChIKey of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is PFZBOKNYOGTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-18-14-7-12(4-5-15(14)19-11)8-17-10-13-3-2-6-16-9-13/h4-5,7,13,16-17H,2-3,6,8-10H2,1H3.
What are the key properties of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine?
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 115209662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).