2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine

C15H25N3 — CID 156639658

IUPAC2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
SMILESCCC(C(C)C)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N3/c1-4-14(12(2)3)13-6-10-18(11-7-13)15-16-8-5-9-17-15/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyRAEFPGUJFAETHK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine

2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 156639658) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
PubChem CID156639658
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
SMILESCCC(C(C)C)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N3/c1-4-14(12(2)3)13-6-10-18(11-7-13)15-16-8-5-9-17-15/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyRAEFPGUJFAETHK-UHFFFAOYSA-N
XLogP3.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 107441426
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 100907382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine (CID 156639658) is 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine is CCC(C(C)C)C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is RAEFPGUJFAETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14(12(2)3)13-6-10-18(11-7-13)15-16-8-5-9-17-15/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3.
What are the key properties of 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine?
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 156639658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).