3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

C19H28N2 — CID 62091793

IUPAC3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCC(C)(C)C1CCN(Cc2ccc(C#CCN)cc2)CC1
InChIInChI=1S/C19H28N2/c1-19(2,3)18-10-13-21(14-11-18)15-17-8-6-16(7-9-17)5-4-12-20/h6-9,18H,10-15,20H2,1-3H3
InChIKeyLVSFDYUZDIKOKJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.25
Rot. Bonds2

About 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine

3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 62091793) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID62091793
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCC(C)(C)C1CCN(Cc2ccc(C#CCN)cc2)CC1
InChIInChI=1S/C19H28N2/c1-19(2,3)18-10-13-21(14-11-18)15-17-8-6-16(7-9-17)5-4-12-20/h6-9,18H,10-15,20H2,1-3H3
InChIKeyLVSFDYUZDIKOKJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.25
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

1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidin-3-ol
CID 62942831
3-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 79184556
3-[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964523
3-[4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 103537557
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
3-[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102745342
4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
CID 82841493
4-[(4-tert-butylpiperidin-1-yl)methyl]-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 166564880
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
4-[4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 106837442
4-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]piperazin-2-one
CID 54969065
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180583

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 62091793) is 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is CC(C)(C)C1CCN(Cc2ccc(C#CCN)cc2)CC1.
What is the InChIKey of 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is LVSFDYUZDIKOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-19(2,3)18-10-13-21(14-11-18)15-17-8-6-16(7-9-17)5-4-12-20/h6-9,18H,10-15,20H2,1-3H3.
What are the key properties of 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 284.45 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 62091793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).