N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

C15H20N2 — CID 43755634

IUPACN-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(C)c2)CC1
InChIInChI=1S/C15H20N2/c1-3-9-17-10-7-14(8-11-17)16-15-6-4-5-13(2)12-15/h1,4-6,12,14,16H,7-11H2,2H3
InChIKeyZTDJZGFDLRYPIA-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.50
Rot. Bonds3

About N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine

N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43755634) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43755634
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2cccc(C)c2)CC1
InChIInChI=1S/C15H20N2/c1-3-9-17-10-7-14(8-11-17)16-15-6-4-5-13(2)12-15/h1,4-6,12,14,16H,7-11H2,2H3
InChIKeyZTDJZGFDLRYPIA-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
CID 111457378
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
CID 111457377
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
N-(2-bromo-6-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 107598016
methyl 2-chloro-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43778965

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine (CID 43755634) is N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2cccc(C)c2)CC1.
What is the InChIKey of N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is ZTDJZGFDLRYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-9-17-10-7-14(8-11-17)16-15-6-4-5-13(2)12-15/h1,4-6,12,14,16H,7-11H2,2H3.
What are the key properties of N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43755634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).