2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine

C19H28N2 — CID 63848832

IUPAC2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN(CC#Cc2ccccc2)C1
InChIInChI=1S/C19H28N2/c1-19(2,3)20-15-18-12-8-14-21(16-18)13-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,20H,8,12-16H2,1-3H3
InChIKeyPFBCSVSFYFBTNS-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63848832) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63848832
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN(CC#Cc2ccccc2)C1
InChIInChI=1S/C19H28N2/c1-19(2,3)20-15-18-12-8-14-21(16-18)13-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,20H,8,12-16H2,1-3H3
InChIKeyPFBCSVSFYFBTNS-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.14
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

methyl (3S)-1-(3-phenylprop-2-ynyl)piperidine-3-carboxylate
CID 115537498
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
4-[[3-[(tert-butylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 63847968
2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 103003270
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591476
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-(cyclopropylmethoxymethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 106931141
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
1,3-bis(3-phenylprop-2-ynyl)imidazolidine
CID 133188423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine (CID 63848832) is 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCCN(CC#Cc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is PFBCSVSFYFBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-19(2,3)20-15-18-12-8-14-21(16-18)13-7-11-17-9-5-4-6-10-17/h4-6,9-10,18,20H,8,12-16H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 284.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63848832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).