N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine

C22H30N4 — CID 89147972

IUPACN-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1ncccn1)C1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C22H30N4/c1-3-15-26(22-23-13-7-14-24-22)21-11-17-25(18-12-21)16-10-19(2)20-8-5-4-6-9-20/h3-9,13-14,19,21H,1,10-12,15-18H2,2H3
InChIKeyPKUBFXBHPIAHSC-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.13
Rot. Bonds8

About N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine

N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine (PubChem CID 89147972) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine
PubChem CID89147972
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1ncccn1)C1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C22H30N4/c1-3-15-26(22-23-13-7-14-24-22)21-11-17-25(18-12-21)16-10-19(2)20-8-5-4-6-9-20/h3-9,13-14,19,21H,1,10-12,15-18H2,2H3
InChIKeyPKUBFXBHPIAHSC-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(3-phenylbutyl)-N-prop-2-enyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 89147981
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride
CID 18374674
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92581839
1-(3,3-diphenylpropyl)-4-ethenylpiperidine
CID 89209836
1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
CID 57008677
2-[4-(3-phenylbutyl)piperazin-1-yl]propanoic acid
CID 65062408
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine (CID 89147972) is N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine is C=CCN(c1ncccn1)C1CCN(CCC(C)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is PKUBFXBHPIAHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-3-15-26(22-23-13-7-14-24-22)21-11-17-25(18-12-21)16-10-19(2)20-8-5-4-6-9-20/h3-9,13-14,19,21H,1,10-12,15-18H2,2H3.
What are the key properties of N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine?
N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 350.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 89147972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).